SCHEMBL6621847

SCHEMBL6621847

Cc1ccccc1-c1cnc2cc3cn[nH]c3cc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.55
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TGFBR1 P36897 2/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL6618925 1.00 TRPA1 (0.55) TRPA1TRPM8TRPV1NPC1RAB9A
SCHEMBL8110919 1.00 TRPA1 (0.55) TRPA1TRPM8TRPV1NPC1RAB9A
SCHEMBL6617397 0.85 FGFR1 (0.44) TRPA1TRPM8TRPV1NPC1RAB9A
SCHEMBL6618800 0.85 FGFR1 (0.44) TRPA1TRPM8TRPV1NPC1RAB9A
SCHEMBL8110669 0.83 NOS1 (0.43) TRPA1TRPM8TRPV1MEN1KMT2A
SCHEMBL6617203 0.83 NOS1 (0.43) TRPA1TRPM8TRPV1MEN1KMT2A
SCHEMBL6621659 0.83 NOS1 (0.43) TRPA1TRPM8TRPV1MEN1KMT2A
SCHEMBL8103281 0.80 FGFR1 (0.45) TRPA1TRPM8TRPV1NPC1RAB9A
SCHEMBL6616738 0.80 SMN1; SMN2 (0.58) NPC1RAB9APDGFRBKDRFLT3
SCHEMBL6617887 0.78 NPC1 (0.57) TRPA1NPC1RAB9APDGFRBKDR

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-0779889-B1 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE AVENTIS PHARMA INC (US) 2004-06-23 — — EP disclosed
US-5476851-A Administering as therapeutic agents for various disease states which are characterized by uncontrolled cellular proliferation RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1995-12-19 — — US disclosed
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