SCHEMBL17488016

SCHEMBL17488016

CC(C)(Nc1ccc2nc(NCc3ccc(Oc4ccc(Cl)cn4)cc3)[nH]c2c1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX3 P56373 8/20 0.41
RAF1 P04049 1/20 0.41
KDR P35968 3/20 0.40
TEK Q02763 2/20 0.40
CYP3A4 P08684 1/20 0.40
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHEK2 O96017 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL17488087 0.94 P2RX3 (0.40) TP53RAB9ASMN1; SMN2P2RX3RAF1
SCHEMBL17487750 0.93 P2RX3 (0.44) TP53RAB9ASMN1; SMN2P2RX3RAF1
SCHEMBL17487718 0.88 RAB9A (0.43) TP53RAB9ASMN1; SMN2P2RX3RAF1
SCHEMBL17488195 0.85 TP53 (0.41) TP53RAB9ASMN1; SMN2RAF1KDR
SCHEMBL17487483 0.84 P2RX3 (0.38) TP53RAB9ASMN1; SMN2P2RX3RAF1
SCHEMBL18965864 0.83 CYP3A4 (0.51) RAB9ASMN1; SMN2P2RX3CYP3A4
SCHEMBL17488014 0.83 POLB (0.50) TP53RAB9ASMN1; SMN2P2RX3RAF1
SCHEMBL17487452 0.81 RAB9A (0.47) TP53RAB9ASMN1; SMN2CYP3A4DGAT1
SCHEMBL17488151 0.80 RAB9A (0.42) TP53RAB9ASMN1; SMN2P2RX3RAF1
SCHEMBL17487320 0.78 RAB9A (0.48) TP53RAB9ASMN1; SMN2KDRTEK

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