SCHEMBL7003572

SCHEMBL7003572

Cc1sc(NC(=O)C=Cc2ccc3c(c2)OCO3)c(C(N)=O)c1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.80
KDM4E B2RXH2 12/20 0.66
LMNA P02545 5/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 11/20 0.57
ALDH1A1 P00352 10/20 0.57
HPGD P15428 7/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 10/20 0.55
NPC1 O15118 8/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HCAR2 Q8TDS4 1/20 0.52

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
SCHEMBL7669932 1.00 MAPT (0.80) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL8290727 0.79 NPC1 (0.70) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL7676172 0.77 MAPT (0.57) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL7676179 0.77 MAPT (0.57) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL7676531 0.77 MAPK8 (0.63) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
Methylamine SCHEMBL15948925 0.76 KDM4E (0.66) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL11491145 0.75 MAOB (0.65) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL11491143 0.75 MAOB (0.65) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL18027733 0.74 KDM4E (0.81) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL12307425 0.73 KDM4E (0.62) MAPTKDM4ELMNACYP1A2CYP3A4

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