SCHEMBL17488158

SCHEMBL17488158

Clc1ccc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)nc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDR P35968 3/20 0.33
TEK Q02763 1/20 0.33
DGAT1 O75907 2/20 0.33
KCNH2 Q12809 2/20 0.33
SOAT1 P35610 1/20 0.33
SCN9A Q15858 2/20 0.33
RAF1 P04049 1/20 0.33
POLB P06746 1/20 0.32
PDE10A Q9Y233 1/20 0.32
IL6 P05231 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL17488147 0.92 RAF1 (0.38) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488105 0.90 RAB9A (0.41) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488123 0.88 KDR (0.35) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488013 0.87 RAB9A (0.39) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488011 0.86 RIPK1 (0.37) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17487715 0.86 KDR (0.36) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488129 0.86 KDR (0.35) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488232 0.86 RIPK1 (0.35) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488237 0.84 RAB9A (0.40) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17487676 0.83 CYP3A4 (0.36) RAB9ATP53SMN1; SMN2PDE10AIL6

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