SCHEMBL17488047

SCHEMBL17488047

CCn1c(NCc2ccc(Oc3cnc(C(F)(F)F)cn3)cc2)nc2ccc(Nc3cc(C(C)(C)C)[nH]n3)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.40
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MCHR1 Q99705 1/20 0.32

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
SCHEMBL18965888 0.90 P2RX3 (0.39) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL18965877 0.87 TP53 (0.39) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488322 0.84 P2RX3 (0.39) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488256 0.84 CYP3A4 (0.39) P2RX3LMNATP53
SCHEMBL17488046 0.83 LMNA (0.40) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488044 0.83 P2RX3 (0.41) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488331 0.81 LMNA (0.39) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488325 0.77 DHODH (0.42) LMNATP53THRBSMN1; SMN2NPC1
SCHEMBL17488045 0.77 LMNA (0.38) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488140 0.76 PIK3C3 (0.40) P2RX3TP53SMN1; SMN2NPC1RAB9A

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