SCHEMBL17488045

SCHEMBL17488045

CCn1c(NCc2ccc(Oc3cnc(Cl)cn3)cc2)nc2ccc(Nc3cc(C(F)(F)F)n(C)n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
P2RX3 P56373 15/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL17488322 0.92 P2RX3 (0.39) LMNATP53P2RX3NPC1RAB9A
SCHEMBL18965985 0.91 CYP3A4 (0.40) LMNATP53P2RX3
SCHEMBL18965884 0.88 LMNA (0.39) LMNATP53P2RX3NPC1RAB9A
SCHEMBL17488319 0.86 TP53 (0.39) LMNATP53P2RX3NPC1RAB9A
SCHEMBL17488247 0.84 LMNA (0.38) LMNATP53P2RX3NPC1RAB9A
SCHEMBL18965822 0.84 CYP3A4 (0.45) P2RX3NPC1RAB9ASMN1; SMN2KDR
SCHEMBL18965888 0.82 P2RX3 (0.39) LMNATP53P2RX3THRBSMN1; SMN2
SCHEMBL17488317 0.82 MCHR1 (0.37) P2RX3SMN1; SMN2KDR
SCHEMBL17488024 0.81 NPC1 (0.39) TP53NPC1RAB9ASMN1; SMN2KDR
SCHEMBL17488049 0.79 MAPT (0.34) LMNATP53P2RX3SMN1; SMN2KDR

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