SCHEMBL17488044

SCHEMBL17488044

CCn1c(NCc2ccc(Oc3cnc(C(F)(F)F)cn3)cc2)nc2ccc(Nc3n[nH]c(C)c3Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 17/20 0.41
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL18965892 0.90 LMNA (0.40) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL18965897 0.87 TP53 (0.38) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL18965976 0.84 LMNA (0.41) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488047 0.83 P2RX3 (0.40) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488322 0.81 P2RX3 (0.39) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL17488320 0.80 CYP3A4 (0.47) P2RX3SMN1; SMN2
SCHEMBL17488256 0.77 CYP3A4 (0.39) P2RX3LMNATP53
SCHEMBL17488025 0.76 NPC1 (0.40) P2RX3LMNATP53SMN1; SMN2
SCHEMBL17488045 0.76 LMNA (0.38) P2RX3LMNATP53THRBSMN1; SMN2
SCHEMBL18965888 0.76 P2RX3 (0.39) P2RX3LMNATP53THRBSMN1; SMN2

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