SCHEMBL7003029

SCHEMBL7003029

CC(=O)Nc1ccc(C(=O)Nc2sc(C(C)c3ccccc3)cc2C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
TNIK Q9UKE5 2/20 0.49
SIRT2 Q8IXJ6 3/20 0.46
KDR P35968 1/20 0.44
HDAC1 Q13547 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK8 P45983 1/20 0.43

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
SCHEMBL6997352 0.89 SIRT2 (0.47) SIRT2KDM4EMAPTMEN1ALDH1A1
SCHEMBL7675378 0.84 KDM4E (0.49) SIRT2KDM4EMAPTMEN1ALDH1A1
SCHEMBL7666423 0.83 RAB9A (0.48) TNIKKDRKDM4EMAPTMEN1
SCHEMBL7669819 0.83 KDM4E (0.48) KDRHDAC1KDM4EMAPTMEN1
SCHEMBL5093025 0.82 IKBKB (0.57) KDM4EMAPTMEN1KMT2A
SCHEMBL6995431 0.80 GPR139 (0.49) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL7674466 0.78 HDAC1 (0.53) TNIKHDAC1KDM4EMAPTMEN1
SCHEMBL7005038 0.77 HDAC1 (0.46) HDAC1KDM4EMAPTALDH1A1
SCHEMBL7675355 0.77 KDR (0.44) KDRKDM4EMAPTMEN1ALDH1A1
SCHEMBL7666511 0.77 MAPT (0.51) KDM4EMAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed