SCHEMBL17488331

SCHEMBL17488331

CCn1c(NCc2ccc(Oc3ncc(Cl)cn3)cc2)nc2ccc(Nc3cc(C(F)(F)F)[nH]n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
P2RX3 P56373 11/20 0.37
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17488046 0.93 LMNA (0.40) LMNATP53P2RX3THRBSMN1; SMN2
SCHEMBL17487851 0.92 NPC1 (0.39) TP53SMN1; SMN2NPC1RAB9AGAA
SCHEMBL17488256 0.91 CYP3A4 (0.39) LMNATP53P2RX3
SCHEMBL17487846 0.89 LMNA (0.41) LMNATP53P2RX3THRBSMN1; SMN2
SCHEMBL18965877 0.89 TP53 (0.39) LMNATP53P2RX3THRBSMN1; SMN2
SCHEMBL18965884 0.85 LMNA (0.39) LMNATP53P2RX3THRBSMN1; SMN2
SCHEMBL17488325 0.85 DHODH (0.42) LMNATP53THRBSMN1; SMN2NPC1
SCHEMBL17488140 0.85 PIK3C3 (0.40) TP53P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL17487532 0.83 PLK4 (0.40) PIK3C3
SCHEMBL18965976 0.82 LMNA (0.41) LMNATP53P2RX3THRBSMN1; 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