SCHEMBL29959595

SCHEMBL29959595

CCOP(=S)(OCC)Oc1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 1/20 0.43
ACHE P22303 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.34

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
SCHEMBL163581 1.00 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL6740128 1.00 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL27374174 0.83 KMT2A (0.33) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL11121848 0.80 KMT2A (0.35) ALDH1A1CYP3A4HSD17B10TP53TDP1
SCHEMBL5934060 0.79 KMT2A (0.41) TSHRTP53ACHEKDM4EPOLB
SCHEMBL29489016 0.73
SCHEMBL1692005 0.73
SCHEMBL7893280 0.72 BAZ2B (0.36) TSHRMAPTKDM4EKMT2A
SCHEMBL11779938 0.71 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL14702027 0.70 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4HSD17B10TP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118475561-A Aryltetrahydropyridazine derivatives or salts thereof, pesticides containing the same and methods of use thereof 日本农药株式会社 2024-08-09 CN disclosed
CN-115135384-B Benzimidazole compound or salt thereof, agricultural and horticultural insecticide/acaricide containing the same, and method for using the same 日本农药株式会社 2024-03-22 CN disclosed
CN-117440757-A Agricultural/horticultural insecticidal composition and method for controlling agricultural/horticultural insect pests SDS生物技术株式会社 2024-01-23 CN disclosed
US-11825827-B2 Materials and methods for the control of nematodes LOCUS SOLUTIONS IPCO, LLC (US) 2023-11-28 US disclosed
CN-113906024-B Condensed heterocyclic compound having nitrogen atom in crosslinking part, salt thereof, agricultural and horticultural insecticide containing the same, and method for using the same 日本农药株式会社 2023-10-20 CN disclosed
CN-110505874-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-09-26 CN disclosed
CN-116709919-A Weed control method 组合化学工业株式会社 2023-09-05 CN disclosed
CN-112996388-B Microcapsule composition, method for producing the same, pesticide preparation containing the microcapsule composition, and weed control method 组合化学工业株式会社 2023-05-09 CN disclosed
CN-115135384-A Benzimidazole compound or its salt, and agricultural and horticultural insecticide and acaricide containing the same and method of using the same 日本农药株式会社 2022-09-30 CN disclosed