SCHEMBL31284494

SCHEMBL31284494

Cc1ccc2nc(-c3ccc(NC(=O)C4CCOC4)cc3)oc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.46
▸ MAP4K4 O95819 1/20 0.44
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK10 P53779 3/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ PIP5K1C O60331 3/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ APP P05067 1/20 0.40

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
SCHEMBL24454933 1.00 ABL1 (0.46) ABL1MAP4K4NPC1RAB9AALDH1A1
SCHEMBL24454936 0.87 MAP4K4 (0.42) ABL1MAP4K4NPC1RAB9AALDH1A1
SCHEMBL31285125 0.87 MAP4K4 (0.42) ABL1MAP4K4NPC1RAB9AALDH1A1
SCHEMBL26258668 0.83 ALDH1A1 (0.59) ABL1MAP4K4NPC1RAB9AALDH1A1
SCHEMBL31284754 0.83 ALDH1A1 (0.59) ABL1MAP4K4NPC1RAB9AALDH1A1
SCHEMBL24454900 0.78 MAPK10 (0.44) ABL1MAP4K4NPC1RAB9AALDH1A1
SCHEMBL24454920 0.78 NPC1 (0.58) MAP4K4NPC1RAB9AALDH1A1KDM4E
SCHEMBL24454876 0.78 MAPK10 (0.51) ABL1MAP4K4NPC1RAB9AALDH1A1
SCHEMBL24454897 0.76 KDM4E (0.69) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL25389382 0.76 FASN (0.49) ABL1MAP4K4NPC1RAB9AALDH1A1

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 1 patent. 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
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