SCHEMBL7005044

SCHEMBL7005044

CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(F)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
KDM4E B2RXH2 4/20 0.59
MAPT P10636 3/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HTT P42858 1/20 0.59
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
IKBKB O14920 3/20 0.48
CYP1A2 P05177 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL7676311 0.86 KDM4E (0.58) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6998767 0.82 KDM4E (0.59) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6998760 0.80 MAPK1 (0.54) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7003680 0.80 KDM4E (0.63) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6512362 0.80 IKBKB (0.57) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL7003989 0.80 MAPK1 (0.56) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6994736 0.79 KDM4E (0.61) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7002626 0.78 MAPK1 (0.57) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7007163 0.77 MAPT (0.65) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL16387376 0.76 MAPK1 (0.61) MEN1KMT2AKDM4EMAPTALDH1A1

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