SCHEMBL37273

SCHEMBL37273

NC(=S)NNC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
CA1 P00915 2/20 0.67
CA9 Q16790 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 2/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MAOA P21397 1/20 0.55
PTGS2 P35354 1/20 0.53
CCR6 P51684 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28591667 0.94 NPC1 (0.69) ALDH1A1CA1CA9SMN1; SMN2NPC1
SCHEMBL27960024 0.93 ALDH1A1 (0.59) ALDH1A1CA1CA9SMN1; SMN2NPC1
Pyridine SCHEMBL28224544 0.89 CA1 (0.75) ALDH1A1CA1CA9SMN1; SMN2NPC1
SCHEMBL6538536 0.89 CTDSP1 (0.72) ALDH1A1CA1CA9SMN1; SMN2NPC1
SCHEMBL9131717 0.88 ALDH1A1 (0.63) ALDH1A1CA1CA9SMN1; SMN2NPC1
SCHEMBL6967575 0.85 RAB9A (0.61) ALDH1A1CA1CA9SMN1; SMN2NPC1
SCHEMBL2897981 0.85 RAB9A (0.65) ALDH1A1CA1CA9SMN1; SMN2NPC1
SCHEMBL400890 0.84 RAB9A (0.77) ALDH1A1CA1CA9SMN1; SMN2NPC1
SCHEMBL29123185 0.83 CA1 (0.67) ALDH1A1CA1CA9SMN1; SMN2NPC1
SCHEMBL6967578 0.83 RAB9A (0.63) ALDH1A1CA1CA9SMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149917-B Preparation method of triazine compound 浙江工业大学 2023-01-10 CN claimed
CN-113149917-A Preparation method of triazine compound 浙江工业大学 2021-07-23 CN claimed
CN-105476992-B Application of the 2- methoxyl group -9- acridine benzamido thiocarbamides in acetylcholinesterase inhibitor is prepared 广西中医药大学 2018-07-06 CN claimed
CN-1014993-B Process for preparing 5-aryl-2, 4-dialkyl-3H-1, 2, 4-triazole-3-thiones MERRELL DOW PHARMA (US) 1991-12-04 CN claimed
CN-86106880-A 5-aryl-2,4-dialkyl group-3H-1,2,4-triazole-3-thioketones class and as the purposes of thymoleptic 1987-06-10 CN claimed
EP-0221485-A1 5-Aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones and their use as antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1987-05-13 EP claimed
EP-0009324-B1 SUBSTITUTED 1-BENZOYL-3-THIOSEMICARBAZIDES, THEIR MANUFACTURE AND USE AS PLANT GROWTH REGULANTS, AND AGRICULTURAL FORMULATIONS COMPRISING THEM Gulf Oil Corporation (US) 1982-07-21 EP claimed
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US claimed
EP-0009324-A1 Substituted 1-benzoyl-3-thiosemicarbazides, their manufacture and use as plant growth regulants, and agricultural formulations comprising them Gulf Oil Corporation (US) 1980-04-02 EP claimed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US claimed
CN-119350258-A Perilla alcohol-1, 2, 4-triazole thioether derivative, and preparation method and application thereof 南宁师范大学 2025-01-24 CN disclosed
CN-113149917-B Preparation method of triazine compound 浙江工业大学 2023-01-10 CN disclosed
CN-113149917-B Preparation method of triazine compound 浙江工业大学 2023-01-10 CN disclosed
CN-113149917-A Preparation method of triazine compound 浙江工业大学 2021-07-23 CN disclosed
CN-113149917-A Preparation method of triazine compound 浙江工业大学 2021-07-23 CN disclosed
EP-0009324-A1 Substituted 1-benzoyl-3-thiosemicarbazides, their manufacture and use as plant growth regulants, and agricultural formulations comprising them Gulf Oil Corporation (US) 1980-04-02 EP disclosed
EP-0009324-A1 Substituted 1-benzoyl-3-thiosemicarbazides, their manufacture and use as plant growth regulants, and agricultural formulations comprising them Gulf Oil Corporation (US) 1980-04-02 EP disclosed
US-4012305-A DIMERIZATION OF STYRENES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-03-15 US disclosed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US disclosed
US-3992396-A TRANQUILIZERS, HYPNOTICS SANDOZ, INC. (US) 1976-11-16 US disclosed