SCHEMBL29686255

SCHEMBL29686255

O=C(Nc1ccc(-c2nc3cccnc3o2)cc1)[C@@H]1CCS(=O)(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 10/20 0.57
▸ NPC1 O15118 10/20 0.57
▸ RAB9A P51151 10/20 0.57
▸ ALDH1A1 P00352 9/20 0.57
▸ KDM4E B2RXH2 8/20 0.57
▸ SMN1; SMN2 Q16637 8/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ TP53 P04637 3/20 0.57
▸ ADRB2 P07550 1/20 0.48
▸ MAPT P10636 5/20 0.44
▸ HTT P42858 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ADK P55263 1/20 0.38
▸ HTR5A P47898 1/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37

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
SCHEMBL24454893 1.00 HPGD (0.57) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL29686837 1.00 HPGD (0.57) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL24454944 1.00 HPGD (0.57) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL24454968 1.00 HPGD (0.57) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL29686457 1.00 HPGD (0.57) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL24454934 0.94 NPC1 (0.59) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL31284406 0.94 NPC1 (0.59) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL31284971 0.83 ALDH1A1 (0.64) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL24454946 0.83 ALDH1A1 (0.64) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL24454958 0.82 FASN (0.48) HPGDNPC1RAB9AALDH1A1KDM4E

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 5 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
EP-4247800-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 — — EP disclosed
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
WO-2022106589-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 — — WO disclosed
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