SCHEMBL7540773

SCHEMBL7540773

CN(C)C(=O)Nc1scc(SCc2ccc3ccccc3c2)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX1 P07099 1/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
EGFR P00533 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL7545477 0.87 PTPRC (0.44) MAPK8MAPK10LMNAHTTKDM4E
SCHEMBL7542204 0.84 MAPK8 (0.39) MAPK8LMNAHTTMEN1CYP1A2
SCHEMBL7655178 0.83 PTPRC (0.49) MAPK8LMNAHTTKDM4EMEN1
SCHEMBL7550361 0.83 MAPK8 (0.43) MAPK8MAPK10HTTKDM4EMEN1
SCHEMBL7664571 0.83 NTRK1 (0.48) MAPK8LMNAHTTMEN1KMT2A
SCHEMBL3092200 0.82 NTRK1 (0.53) MAPK8MAPK10CA12CA1CA2
SCHEMBL7565785 0.81 NTRK1 (0.41) LMNAHTTMEN1CYP1A2CYP3A4
SCHEMBL7539246 0.81 NTRK1 (0.41) MAPK8MAPK10MEN1CYP1A2CYP3A4
SCHEMBL7542984 0.80 NTRK1 (0.35) ALDH1A1HPGDNPC1RAB9AGFER
SCHEMBL7541519 0.80 MAPK8 (0.42) MAPK8MAPK10LMNAHTTCYP1A2

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