SCHEMBL13435471

SCHEMBL13435471

N#Cc1ccc(O)c(NC(=O)CCl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CXCR2 P25025 3/20 0.45
CXCR1 P25024 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TMPRSS4 Q9NRS4 3/20 0.43
TRPM4 Q8TD43 1/20 0.43
P2RX1 P51575 1/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 2/20 0.40
GPR35 Q9HC97 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL31703290 0.84 ALDH1A1 (0.55) POLBALDH1A1HTTSMN1; SMN2TRPM4
SCHEMBL31703491 0.83 ALDH1A1 (0.42) POLBALDH1A1HTTSMN1; SMN2TMPRSS4
SCHEMBL6341804 0.83 ALDH1A1 (0.53) POLBALDH1A1HTTSMN1; SMN2TRPM4
SCHEMBL22897687 0.80 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2TRPM4MAPK1
SCHEMBL29560180 0.80 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2TRPM4MAPK1
SCHEMBL14025078 0.79 POLB (0.53) POLBCXCR2CXCR1ALDH1A1SMN1; SMN2
SCHEMBL29914686 0.78 POLB (0.53) POLBALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL3755148 0.78 POLB (0.53) POLBALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL9031483 0.78 ALDH1A1 (0.47) CXCR2CXCR1ALDH1A1HTTSMN1; SMN2
SCHEMBL21409465 0.77 MITF (0.51) POLBALDH1A1HTTSMN1; SMN2MAPK1

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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed