SCHEMBL30486922

SCHEMBL30486922

O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)[C@H]1CCOC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.69
▸ MAPT P10636 3/20 0.69
▸ NPC1 O15118 2/20 0.69
▸ RAB9A P51151 2/20 0.69
▸ HPGD P15428 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ CASP3 P42574 4/20 0.63
▸ SENP7 Q9BQF6 3/20 0.63
▸ POLB P06746 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ PARP3 Q9Y6F1 2/20 0.58
▸ USP2 O75604 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ AHR P35869 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CETP P11597 7/20 0.55
▸ THRB P10828 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ TP53 P04637 1/20 0.55

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
SCHEMBL24454894 1.00 KDM4E (0.69) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL24454897 1.00 KDM4E (0.69) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL29686421 1.00 KDM4E (0.69) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL24454970 1.00 KDM4E (0.69) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL30486928 1.00 KDM4E (0.69) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL24454920 0.92 NPC1 (0.58) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL2243986 0.83 CASP3 (0.70) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL24454876 0.82 MAPK10 (0.51) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL2248739 0.81 MAPT (0.65) KDM4EMAPTNPC1RAB9AHPGD
SCHEMBL2245386 0.81 MAPT (0.65) KDM4EMAPTNPC1RAB9AHPGD

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
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
CN-116438166-A N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-14 — — CN claimed
CN-116438166-A N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-14 — — CN disclosed
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