SCHEMBL17488076

SCHEMBL17488076

Nc1ccc2nc(N)n(Cc3ccc(-c4ccc(Cl)cc4)cc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.63
SOS1 Q07889 2/20 0.63
TNF P01375 2/20 0.63
NOD2 Q9HC29 2/20 0.63
CXCL8 P10145 2/20 0.63
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CSF1R P07333 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL17487315 0.88 SOS1 (0.59) NOD1SOS1TNFNOD2CXCL8
SCHEMBL17487426 0.80 CXCL8 (0.50) NOD1SOS1TNFNOD2CXCL8
SCHEMBL17487454 0.80 CSF1R (0.50) NOD1SOS1TNFNOD2CXCL8
SCHEMBL17487358 0.79 SOS1 (0.48) NOD1SOS1TNFNOD2CXCL8
SCHEMBL7337702 0.78 NOD1 (1.00) NOD1SOS1TNFNOD2CXCL8
SCHEMBL17487437 0.78 CSF1R (0.51) NOD1SOS1TNFNOD2CXCL8
SCHEMBL17488183 0.77 NOD1 (0.52) NOD1SOS1TNFNOD2CXCL8
SCHEMBL18960382 0.76 SOS1 (0.56) NOD1SOS1TNFNOD2CXCL8
SCHEMBL17488006 0.75 KMT2A (0.47) NOD1SOS1TNFNOD2CXCL8
SCHEMBL17487436 0.75 SOS1 (0.44) NOD1SOS1TNFNOD2CXCL8

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed