SCHEMBL17488102

SCHEMBL17488102

Cc1cc(CNc2nc3ccc(NC4COC4)cc3[nH]2)ccc1Oc1ccc(Cl)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
HIF1A Q16665 1/20 0.36
TP53 P04637 1/20 0.34
RIPK1 Q13546 1/20 0.34
GRM4 Q14833 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LCK P06239 1/20 0.32
ROCK2 O75116 1/20 0.32
ARHGDIA P52565 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL17488308 0.91 GRM4 (0.40) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488011 0.89 RIPK1 (0.37) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488105 0.88 RAB9A (0.41) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488232 0.86 RIPK1 (0.35) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488138 0.85 RAB9A (0.37) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488013 0.85 RAB9A (0.39) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488129 0.84 KDR (0.35) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL18965780 0.83 CYP3A4 (0.39) RAB9ASMN1; SMN2LMNAHTTKMT2A
SCHEMBL17488100 0.83 RAB9A (0.41) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488158 0.82 RIPK1 (0.35) RAB9ASMN1; SMN2TP53RIPK1CYP1A2

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