SCHEMBL7005038

SCHEMBL7005038

CC(c1ccccc1)c1cc(C(N)=O)c(NC(=O)C(c2ccccc2)C(C)C)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
HDAC3 O15379 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
IKBKB O14920 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL5093025 0.86 IKBKB (0.57) KDM4EMAPTMAPK1GFERHDAC6
SCHEMBL7675378 0.79 KDM4E (0.49) LMNAKDM4EMAPTMAPK1GFER
SCHEMBL7003372 0.79 MAPK1 (0.54) LMNAKDM4EMAPTMAPK1GFER
SCHEMBL7666511 0.78 MAPT (0.51) KDM4EMAPTGFERIKBKBJAK2
SCHEMBL7666423 0.78 RAB9A (0.48) LMNAKDM4EMAPTMAPK1GFER
SCHEMBL7676277 0.77 KDM4E (0.50) LMNAKDM4EMAPTMAPK1GFER
SCHEMBL7669819 0.77 KDM4E (0.48) HDAC1LMNAKDM4EMAPTMAPK1
SCHEMBL7003029 0.77 CACNA1B (0.50) HDAC1KDM4EMAPTALDH1A1
SCHEMBL7668077 0.77 MAPT (0.41) LMNAKDM4EMAPTMAPK1GFER
SCHEMBL7670759 0.77 OPRM1 (0.47) HDAC1KDM4EMAPTHDAC3HDAC8

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