SCHEMBL17488147

SCHEMBL17488147

Clc1ccc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)nc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.38
RIPK1 Q13546 1/20 0.37
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDR P35968 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK1 P06493 1/20 0.35
TEK Q02763 1/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
ROCK2 O75116 1/20 0.34
POLB P06746 1/20 0.34
P2RX3 P56373 3/20 0.33
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL17488158 0.92 RIPK1 (0.35) RAF1RIPK1RAB9ACYP1A2CYP2D6
SCHEMBL17487996 0.88 RAB9A (0.45) RAF1RIPK1RAB9ACYP1A2CYP2D6
SCHEMBL17488124 0.86 RAB9A (0.42) RAF1RAB9AKDRTP53SMN1; SMN2
SCHEMBL17488013 0.84 RAB9A (0.39) RAF1RIPK1RAB9ACYP1A2CYP2D6
SCHEMBL17488237 0.84 RAB9A (0.40) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488105 0.83 RAB9A (0.41) RAF1RIPK1RAB9ACYP1A2CYP2D6
SCHEMBL17488096 0.82 RAB9A (0.42) RAF1RIPK1RAB9ACYP1A2CYP2D6
SCHEMBL17488033 0.81 RAB9A (0.42) RAF1RIPK1RAB9ACYP1A2CYP2D6
SCHEMBL17487495 0.81 RAB9A (0.42) RAB9ATP53SMN1; SMN2CSNK1A1CSNK1D
SCHEMBL17487716 0.81 SMN1; SMN2 (0.43) RAF1RIPK1RAB9ACYP2C9KDR

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