SCHEMBL17488100

SCHEMBL17488100

Cc1cc(CNc2nc3ccc(N)cc3[nH]2)ccc1Oc1ccc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
HIF1A Q16665 1/20 0.41
TP53 P04637 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL17488304 0.89 GRM4 (0.43) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488015 0.88 RAB9A (0.42) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17487452 0.86 RAB9A (0.47) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488277 0.83 KDM4E (0.45) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488141 0.83 RAB9A (0.43) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488102 0.83 RAB9A (0.36) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488113 0.82 RAB9A (0.44) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488093 0.82 KDM4E (0.44) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL18960421 0.82 RAB9A (0.43) RAB9ASMN1; SMN2LMNAHTTCYP1A2
SCHEMBL17488042 0.79 RAB9A (0.43) RAB9ASMN1; SMN2LMNAHTTGFER

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