SCHEMBL6813430

SCHEMBL6813430

CN(/C=C/N(C)c1nc2ccccc2n1Cc1ccc(F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH1 P35367 11/20 0.43
CYP2D6 P10635 10/20 0.43
KCNH2 Q12809 5/20 0.43
CHRM1 P11229 3/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
ALOX5AP P20292 1/20 0.39

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
SCHEMBL6817794 0.88 RAB9A (0.43) RAB9ALMNAALDH1A1TP53SMN1; SMN2
SCHEMBL6809501 0.85 RAB9A (0.51) RAB9ALMNAALDH1A1TP53SMN1; SMN2
SCHEMBL6813431 0.82 RAB9A (0.46) RAB9ALMNAALDH1A1TP53SMN1; SMN2
SCHEMBL6817787 0.80 RAB9A (0.44) RAB9ALMNAALDH1A1TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6813455 0.77 LMNA (0.42) RAB9ALMNAALDH1A1TP53SMN1; SMN2
SCHEMBL6809445 0.76 RAB9A (0.48) RAB9ALMNAALDH1A1TP53SMN1; SMN2
SCHEMBL6809503 0.75 RAB9A (0.52) RAB9ALMNAALDH1A1TP53SMN1; SMN2
SCHEMBL6809443 0.73 RAB9A (0.50) RAB9ALMNAALDH1A1TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6809556 0.70 LMNA (0.41) RAB9ALMNAALDH1A1TP53SMN1; SMN2
SCHEMBL20149732 0.68 RAB9A (0.61) RAB9ALMNAALDH1A1TP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980359-B1 BENZIMIDAZOLE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2004-06-23 EP disclosed
US-6114369-A N-METHYL-N-(1-(4-FLUOROBENZYL)BENZIONIDAZOL-2-YL)-N'-METHYL-N-(3,5 -BIS(TRIFLUOROMETHYL)BENZYLAMINOCARBONYL)-1,3-PROPYLENEDIAMINE HYDROCHLORIDE, FOR EXAMPLE; SUBSTANCE P ANTAGONISTS; ANTIALLERGIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed