SCHEMBL17488014

SCHEMBL17488014

OCCNc1ccc2nc(NCc3ccc(Oc4ccc(Cl)cn4)cc3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
HIF1A Q16665 1/20 0.41
KDR P35968 3/20 0.40
TEK Q02763 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAF1 P04049 1/20 0.39

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
SCHEMBL17487718 0.86 RAB9A (0.43) POLBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL17487722 0.86 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488229 0.85 KDR (0.42) RAB9ASMN1; SMN2TP53KDRTEK
SCHEMBL17488151 0.84 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487452 0.84 RAB9A (0.47) POLBALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL17487750 0.83 P2RX3 (0.44) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488016 0.83 TP53 (0.41) RAB9ASMN1; SMN2TP53KDRTEK
SCHEMBL17488105 0.82 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488332 0.81 KDR (0.40) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487483 0.80 P2RX3 (0.38) RAB9ASMN1; SMN2TP53CYP3A4DGAT1

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