SCHEMBL7090262

SCHEMBL7090262

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)CCc2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.63
HPGDS O60760 1/20 0.50
LMNA P02545 1/20 0.48
PSMB8 P28062 1/20 0.47
ROCK2 O75116 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NOTUM Q6P988 1/20 0.45
TSHR P16473 1/20 0.45
PTGS2 P35354 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ADRA2B P18089 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7091162 0.88 MAPT (0.58) LMNAROCK2TSHRL3MBTL1
SCHEMBL9706384 0.79 NAMPT (0.76) NAMPTLMNAPSMB8CYP1A2CYP3A4
SCHEMBL7090663 0.78 PRMT1 (0.58) F10
SCHEMBL9706562 0.78 NAMPT (0.67) NAMPTHPGDSLMNAPSMB8CYP1A2
SCHEMBL6303962 0.78 F10 (0.60) F2F10PRSS1PRSS2PRSS3
SCHEMBL6298719 0.77 F10 (0.48) TSHRF2F10PRSS1PRSS2
SCHEMBL6374214 0.77 USP30 (0.49) NAMPTROCK2F10
SCHEMBL6374206 0.77 USP30 (0.49) NAMPTROCK2F10
SCHEMBL7092320 0.76 RAB9A (0.54) NAMPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7090958 0.76 CIT (0.50) NAMPTF2F10PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP disclosed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO disclosed