SCHEMBL31284616

SCHEMBL31284616

CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(F)ccc3o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.63
▸ KDM4E B2RXH2 7/20 0.60
▸ RAB9A P51151 6/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CEPT1 Q9Y6K0 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.57
▸ XBP1 P17861 1/20 0.57
▸ POLB P06746 4/20 0.56
▸ CASP3 P42574 3/20 0.56
▸ SENP7 Q9BQF6 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TP53 P04637 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HPSE Q9Y251 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54

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
SCHEMBL24454952 1.00 MAPT (0.63) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL24454870 0.91 RAB9A (0.60) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL2243229 0.84 ALDH1A1 (0.71) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL2242824 0.83 CASP3 (0.71) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL2607551 0.83 NPC1 (0.75) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL13182114 0.82 ALDH1A1 (0.69) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL24454908 0.77 MAPT (0.57) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL31285581 0.77 MAPT (0.57) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL24454923 0.76 KDM4E (0.54) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL2245490 0.76 TP53 (0.69) MAPTKDM4ERAB9ANPC1MEN1

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
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