SCHEMBL28653047

SCHEMBL28653047

Cc1cc(C)cc(CNc2ccccc2C(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 3/20 0.56
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ PARP1 P09874 1/20 0.51
▸ CD38 P28907 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ AGTR1 P30556 2/20 0.47
▸ SIRT2 Q8IXJ6 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CDC7 O00311 1/20 0.46

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
SCHEMBL28658005 0.86 RAB9A (0.59) RAB9ANPC1PARP1CD38KDM4E
SCHEMBL28647447 0.85 ADRA1D (0.53) RPS6KB1KDM4EPOLBMEN1KMT2A
SCHEMBL30311518 0.82 HSD17B10 (0.63) RPS6KB1PARP1CD38KDM4EPOLB
SCHEMBL2754257 0.82 HSD17B10 (0.63) RPS6KB1PARP1CD38KDM4EPOLB
SCHEMBL28658000 0.81 AURKA (0.65) RPS6KB1RAB9ANPC1PARP1CD38
SCHEMBL28181760 0.78 SIRT2 (0.60) SIRT2SIRT1
SCHEMBL20680388 0.76 CD38 (0.80) CD38
SCHEMBL30802642 0.76 PARP1 (0.75) RPS6KB1RAB9ANPC1PARP1KDM4E
SCHEMBL29200370 0.76 PARP1 (0.75) RPS6KB1RAB9ANPC1PARP1KDM4E
SCHEMBL3441356 0.76 AGTR1 (0.54) RAB9ANPC1KDM4EMEN1KMT2A

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-113563272-B Preparation method of 2-phenylquinazolinone compound 三峡大学 2023-03-10 — — CN disclosed
CN-113563272-A Preparation method of 2-phenylquinazolinone compound 三峡大学 2021-10-29 — — CN disclosed
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