SCHEMBL24099276

SCHEMBL24099276

Cc1cccc(C)c1-n1c(C)nc2ccc(C)c(F)c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HCAR1 Q9BXC0 5/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
KCNH2 Q12809 2/20 0.38
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL24099274 0.88 ALDH1A1 (0.38) POLBL3MBTL1ALDH1A1LMNAHCAR1
SCHEMBL24098560 0.79 HDAC1 (0.61) HDAC1HDAC8HDAC6
SCHEMBL16596931 0.78 PIK3CD (0.49) L3MBTL1ALDH1A1LMNAHCAR1HRH3
SCHEMBL28971440 0.77 HDAC1 (0.42) ALDH1A1HDAC1HDAC8HDAC6HRH3
SCHEMBL24099285 0.77 HDAC1 (0.42) ALDH1A1HDAC1HDAC8HDAC6HRH3
SCHEMBL15840304 0.77 POLB (0.36) POLBL3MBTL1ALDH1A1LMNAHCAR1
SCHEMBL17449521 0.74 ACSS2 (0.41) POLBALDH1A1LMNAHSD17B10
SCHEMBL24098901 0.73 L3MBTL1 (0.46) POLBL3MBTL1ALDH1A1LMNAHRH3
SCHEMBL16596950 0.72 PIK3CD (0.52) POLBL3MBTL1HDAC1HDAC8HDAC6
SCHEMBL16596972 0.71 HRH3 (0.56) POLBL3MBTL1ALDH1A1HDAC1HDAC8

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-2021252475-A1 QUINAZOLINE DERIVATIVES USEFUL AS SELECTIVE HDAC6 INHIBITORS Annji Pharmaceutical Co., Ltd. (TW) 2021-12-16 WO disclosed