SCHEMBL31284610

SCHEMBL31284610

O=C(Nc1ccc(-c2nc3cccc(F)c3o2)cc1)C12CC(C1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ CETP P11597 2/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ TP53 P04637 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CEPT1 Q9Y6K0 2/20 0.40
▸ HTR3A P46098 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
SCHEMBL24454912 1.00 FASN (0.44) FASNMAPTCETPRAB9ANPC1
SCHEMBL24454955 0.87 MAPT (0.43) FASNMAPTCETPRAB9ANPC1
SCHEMBL24454910 0.84 CETP (0.44) FASNMAPTCETPRAB9ANPC1
SCHEMBL24454878 0.83 MAPT (0.47) FASNMAPTCETPRAB9ANPC1
SCHEMBL29686567 0.83 CETP (0.44) FASNMAPTCETPRAB9ANPC1
SCHEMBL24454885 0.83 CETP (0.44) FASNMAPTCETPRAB9ANPC1
SCHEMBL24454899 0.83 FASN (0.47) FASNMAPTCETPRAB9ANPC1
SCHEMBL24454922 0.83 MAPT (0.43) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL24454956 0.82 CETP (0.44) FASNMAPTCETPRAB9ANPC1
SCHEMBL24454871 0.81 FASN (0.58) FASNMAPTCETPRAB9ANPC1

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-4247800-B1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2024-11-13 — — EP claimed
EP-4247800-B1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2024-11-13 — — EP disclosed
Send feedback