SCHEMBL9833949

SCHEMBL9833949

Cc1cccc2c1CC(=S)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HK1 P19367 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GALK1 P51570 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ HTR5A P47898 1/20 0.46
▸ CDK5 Q00535 4/20 0.36
▸ CDK5R1 Q15078 4/20 0.36
▸ CCNB2 O95067 4/20 0.36
▸ CDK1 P06493 4/20 0.36
▸ CCNB1 P14635 4/20 0.36

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
SCHEMBL29622074 0.76 CCNB2 (0.54) KDM4EMAPTMAPK1BLMHTR5A
SCHEMBL12169756 0.76 HTR5A (0.46) MEN1KMT2AHTR5ACDK5CDK5R1
SCHEMBL152281 0.76 CCNB2 (0.54) KDM4EMAPTMAPK1BLMHTR5A
SCHEMBL5141694 0.74 NPC1 (0.47) MEN1KMT2AKDM4ENPC1HSP90AA1
SCHEMBL20777511 0.74 HTR5A (0.52) HTR5ACDK5CDK5R1ALDH1A1CREBBP
SCHEMBL25463173 0.67 HTR5A (0.42) MAPTHTR5ACDK5CDK5R1CCNB2
SCHEMBL5137969 0.67 CASP3 (0.53) MEN1KMT2ACDK5CDK5R1CCNB2
SCHEMBL29754448 0.67 NPC1 (0.50) NPC1MAPTHTR5ACDK5CDK5R1
SCHEMBL1764170 0.67 NPC1 (0.50) NPC1MAPTHTR5ACDK5CDK5R1
SCHEMBL29453856 0.66 KMT2A (1.00) MEN1KMT2AKDM4ENPC1HSP90AA1

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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