SCHEMBL7545477

SCHEMBL7545477

CN(C)C(=O)Nc1scc(SCc2ccccc2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.44
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
FFAR1 O14842 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL9067875 0.92 PTPRC (0.48) PTPRCALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7545096 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAHTTGALR3
SCHEMBL7542204 0.89 MAPK8 (0.39) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL7539246 0.88 NTRK1 (0.41) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL7664571 0.88 NTRK1 (0.48) ALDH1A1SMN1; SMN2LMNAHTTGALR3
SCHEMBL7655178 0.87 PTPRC (0.49) PTPRCALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7546778 0.87 CCNE2 (0.43) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL7540773 0.87 MAPK8 (0.39) ALDH1A1SMN1; SMN2LMNAHTTGALR3
SCHEMBL7550361 0.86 MAPK8 (0.43) ALDH1A1HTTKMT2AL3MBTL1MEN1
SCHEMBL7542984 0.85 NTRK1 (0.35) PTPRCALDH1A1NTRK1HPGDNPC1

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
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US claimed
EP-1187826-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2002-03-20 EP claimed
WO-2000071532-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US disclosed