SCHEMBL25567414

SCHEMBL25567414

CC(C)NC(=O)Nc1cc2c(cc1F)CC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ ANPEP P15144 1/20 0.39
▸ SMYD3 Q9H7B4 6/20 0.38
▸ CRBN Q96SW2 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MET P08581 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL154463 0.86 HDAC3 (0.45) HDAC3ANPEPSMYD3CRBN
SCHEMBL154464 0.86 HDAC3 (0.45) HDAC3ANPEPSMYD3CRBN
SCHEMBL152807 0.82 HDAC3 (0.45) HDAC3SMYD3CRBN
SCHEMBL155059 0.81 HDAC3 (0.41) HDAC3ANPEPSMYD3CRBN
SCHEMBL155927 0.79 HDAC3 (0.44) HDAC3SMYD3CRBNKMT2A
SCHEMBL155351 0.78 HDAC3 (0.42) HDAC3PARP1SMYD3CRBN
SCHEMBL25565793 0.77 HDAC3 (0.38) HDAC3PARP1ANPEPSMYD3CRBN
SCHEMBL154844 0.77 SMN1; SMN2 (0.42) HDAC3PARP1SMYD3CRBNKMT2A
SCHEMBL13449528 0.76 HDAC3 (0.43) HDAC3ANPEPSMYD3CRBN
SCHEMBL3660566 0.76 SMYD3 (0.54) HDAC3SMYD3PKM

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
WO-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 — — WO disclosed
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