SCHEMBL10923604

SCHEMBL10923604

CCc1[nH]c(=O)[nH]c1C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.49
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ MAPK10 P53779 1/20 0.47
▸ RAB9A P51151 5/20 0.43
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ BDKRB1 P46663 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL10927585 0.85 SLC22A12 (0.49) SLC22A12MAPK10GAATP53KMT2A
SCHEMBL10927097 0.80 SLC22A12 (0.53) SLC22A12MAPK10RAB9AGAATP53
SCHEMBL10925594 0.74 SLC22A12 (0.47) SLC22A12MAPK10RAB9AGAAKMT2A
Hydrochloric Acid SCHEMBL10971146 0.73 CCR5 (0.46) RAB9ATP53KMT2ANPC1ALDH1A1
SCHEMBL31265766 0.69 PTPN1 (0.54) RAB9ATP53NPC1TRPV1L3MBTL1
Propane SCHEMBL28986145 0.68 NAPRT (0.60) RAB9AGAATP53KMT2ANPC1
SCHEMBL19259498 0.67 BCAT2 (0.72) RAB9ATP53KMT2ANPC1HPGD
Alcohol SCHEMBL27965507 0.67 NAPRT (0.58) RAB9AGAATP53KMT2ANPC1
Butane SCHEMBL28335627 0.67 ALDH1A1 (0.59) GAATP53KMT2AHPGDTRPV1
SCHEMBL672416 0.67 ALDH1A1 (0.50) RAB9AGAATP53KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078546-B1 NOVEL IMIDAZOLECARBOXAMIDE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-11-12 — — EP disclosed
EP-0064705-B1 5-AMINOMETHYL-2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP disclosed
EP-0064706-B1 5-(4-PHENYL-1-PIPERIDINYL)METHYL-2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-03 — — EP disclosed
EP-0078546-A1 Novel imidazolecarboxamide derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-05-11 — — EP disclosed
US-4371737-A CARDIOTONICS, ANTIHYPERTENSIUES AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-02-01 — — US disclosed
EP-0064705-A1 5-Aminomethyl-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
EP-0064706-A1 5-(4-Phenyl-1-piperidinyl)methyl-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
US-4329470-A CORDIOTONIC, HYPOTENSIVE, ANTITHROMBOSIS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 — — US disclosed
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