SCHEMBL28868514

SCHEMBL28868514

CC(=CC(=O)O)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ RAB9A P51151 6/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ TGM2 P21980 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ HTT P42858 3/20 0.46
▸ MITF O75030 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44

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
SCHEMBL26659359 0.84 MAPT (0.55) PARP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL26659387 0.84 MAPT (0.55) PARP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5459512 0.84 PARP1 (0.65) PARP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12789348 0.84 MEN1 (0.53) RAB9ANPC1MAPTSMN1; SMN2NFKB1
SCHEMBL5177152 0.84 PARP1 (0.65) PARP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL15332089 0.83 PARP1 (0.56) PARP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL15332092 0.83 PARP1 (0.56) PARP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL14482123 0.82 MEN1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL14482118 0.82 MEN1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL14482122 0.82 MEN1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1

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
CN-104876941-B Fused tricyclic class compound and its application 南京汇诚制药有限公司 2019-02-01 — — CN disclosed
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