SCHEMBL12304464

SCHEMBL12304464

Cc1cc(NC(=O)C2CCN(c3nsnc3OCc3ccncc3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MALT1 Q9UDY8 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ F2 P00734 2/20 0.47
▸ ELANE P08246 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 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
SCHEMBL2387034 0.94 F10 (0.58) F10MALT1TRPV1F2ELANE
SCHEMBL2384350 0.90 F10 (0.63) F10RXFP1F2ELANEMEN1
SCHEMBL2383853 0.82 LDHA (0.44) F10TRPV1F2ELANETSHR
SCHEMBL2382772 0.81 TRPV1 (0.49) TRPV1HSD17B10
SCHEMBL2384143 0.78 TRPV1 (0.52) F10TRPV1TSHRHSD17B10ALDH1A1
SCHEMBL2386175 0.78 TRPV1 (0.47) TRPV1KDM4EALDH1A1MAPT
SCHEMBL2385630 0.78 ALDH1A1 (0.49) TRPV1MEN1KMT2AKDM4ELMNA
SCHEMBL2384981 0.78 TRPV1 (0.54) F10TRPV1
SCHEMBL2385509 0.78 TRPV1 (0.54) F10TRPV1
SCHEMBL2383659 0.78 TRPV1 (0.54) F10TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
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