SCHEMBL10977479

SCHEMBL10977479

Cc1cccc(N(CO)CC#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.41
▸ CETP P11597 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ ACHE P22303 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PAX8 Q06710 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ TP53 P04637 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
SCHEMBL10980711 0.84 ACHE (0.46) GFERCETPALDH1A1CYP3A4SIGMAR1
SCHEMBL10981877 0.79 ALDH1A1 (0.53) GFERCETPALDH1A1CYP3A4SIGMAR1
SCHEMBL9300167 0.76 GFER (0.42) GFERCETPALDH1A1RAB9AHTT
SCHEMBL8926268 0.76 GFER (0.43) GFERALDH1A1CYP3A4ACHERAB9A
SCHEMBL11056649 0.73 RAB9A (0.48) GFERALDH1A1RAB9AHTTNPC1
SCHEMBL29431930 0.73 MAPT (0.44) GFERCETPALDH1A1CYP3A4SIGMAR1
SCHEMBL632177 0.73 MAPT (0.44) GFERCETPALDH1A1CYP3A4SIGMAR1
SCHEMBL31379034 0.72 ACHE (0.46) GFERALDH1A1SIGMAR1ACHERAB9A
SCHEMBL6889131 0.72 GFER (0.52) GFERALDH1A1CYP3A4RAB9AHTT
SCHEMBL14606671 0.71 GFER (0.43) GFERALDH1A1CYP3A4RAB9AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503145-A DIAGNOSIS OF LIVER DISORDERS FUJI PHOTO FILM CO., LTD. (JP) 1985-03-05 — — US disclosed
US-4478942-A CATIONIC DYE BOUND TO ANIONIC POLYMER FOR ASSAY OF HYDROGEN PEROXIDE FUJI PHOTO FILM CO., LTD. (JP) 1984-10-23 — — US disclosed
US-4418037-A PYROGALLOL DERIVATIVE STORAGE STABILIZER FUJI PHOTO FILM CO., LTD. (JP) 1983-11-29 — — US disclosed
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