SCHEMBL17487499

SCHEMBL17487499

Clc1cnc(Oc2ccc(CNc3nc4ccc(NC5CSC5)cc4[nH]3)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
HIF1A Q16665 1/20 0.37
RIPK1 Q13546 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
RAF1 P04049 1/20 0.34
POLB P06746 1/20 0.34
TYMS P04818 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 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
SCHEMBL17487480 0.90 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488096 0.90 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487822 0.88 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487497 0.82 RAB9A (0.49) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487481 0.81 RAB9A (0.39) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488236 0.81 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488153 0.80 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487821 0.80 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL18965846 0.80 NPC1 (0.41) RAB9ASMN1; SMN2TP53LMNAGFER
SCHEMBL17487716 0.79 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2TP53LMNAHTT

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