SCHEMBL9836107

SCHEMBL9836107

COc1cc(C(=O)c2ccccc2)cc2c1CC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CCNB2 O95067 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CCNB1 P14635 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ CCNB3 Q8WWL7 2/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ ATM Q13315 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 2/20 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
SCHEMBL9835463 0.80 RIPK1 (0.43) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9835501 0.77 PDE4D (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL22491426 0.72 CA12 (0.47) CNR2MAPTLMNAALDH1A1RAB9A
SCHEMBL9343741 0.72 CA12 (0.63) CYP1A2HPGDCYP2C19CYP2D6CNR2
SCHEMBL2450750 0.72 TUBB4A (0.72) CYP1A2HPGDCYP2C19CYP2D6ATM
SCHEMBL7679044 0.72 SMYD3 (0.53) ATMALDH1A1L3MBTL1
SCHEMBL2267107 0.70 DRD2 (0.50) CYP2C19CYP2D6CCNB2CDK1CCNB1
SCHEMBL11460571 0.69 CYP1A2 (0.59) CYP1A2CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL3255662 0.69 SMYD3 (0.53) ATMALDH1A1L3MBTL1
SCHEMBL9836593 0.69 CRBN (0.46) CCNB2CDK1CCNB1GSK3BCCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208510-B1 1-SUBSTITUTED OXINDOLE-3-CARBOXAMINES AS ANTIINFLAMMATORY AND ANALGESIC AGENTS PFIZER INC. (US) 1991-09-11 — — EP disclosed
US-4791129-A RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-12-13 — — US disclosed
US-4725616-A ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-02-16 — — US disclosed
EP-0208510-A2 1-Substituted oxindole-3-carboxamines as antiinflammatory and analgesic agents PFIZER INC. (US) 1987-01-14 — — EP disclosed
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