SCHEMBL30524313

SCHEMBL30524313

Cc1ccc2oc(C(F)(F)Br)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.51
▸ NPC1 O15118 8/20 0.51
▸ HPGD P15428 7/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ TP53 P04637 3/20 0.51
▸ CASP3 P42574 3/20 0.49
▸ SENP7 Q9BQF6 3/20 0.49
▸ SENP6 Q9GZR1 3/20 0.49
▸ SENP8 Q96LD8 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 6/20 0.45
▸ ELANE P08246 1/20 0.45
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 2/20 0.43

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
SCHEMBL12301096 0.88 ELANE (0.58) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL12301097 0.82 RAB9A (0.54) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL30524315 0.81 XDH (0.40) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL30524320 0.80 NPC1 (0.44) RAB9ANPC1TP53MAPT
SCHEMBL27677875 0.79 LMNA (0.54) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL24732470 0.79 RAB9A (0.48) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL31265303 0.74 KDM4E (0.51) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL9306872 0.74 RAB9A (0.58) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL21488100 0.74 NPC1 (0.47) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL5540005 0.74 RAB9A (0.58) RAB9ANPC1HPGDKDM4EALDH1A1

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
CN-116621791-B Fluorine-containing benzoxazole compound and synthesis method thereof 上海大学 2025-02-25 — — CN disclosed
CN-116621791-A Fluorine-containing benzoxazole compound and synthesis method thereof 上海大学 2023-08-22 — — CN disclosed
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