SCHEMBL31542075

SCHEMBL31542075

O=C(NO)c1ccc(Cc2nc3ccccc3c(=O)n2CC2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.53
HDAC1 Q13547 10/20 0.53
HDAC11 Q96DB2 7/20 0.53
HDAC8 Q9BY41 7/20 0.53
HDAC2 Q92769 2/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC3 O15379 3/20 0.48
HDAC10 Q969S8 3/20 0.48
CNR2 P34972 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
MGAM O43451 1/20 0.44
PNLIP P16233 1/20 0.44
MELK Q14680 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 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
SCHEMBL31542070 0.85 HDAC6 (0.62) HDAC6HDAC1HDAC11HDAC8HDAC2
SCHEMBL31542054 0.83 HDAC6 (0.50) HDAC6HDAC1HDAC11HDAC8HDAC2
SCHEMBL31542057 0.80 HDAC6 (0.60) HDAC6HDAC1HDAC11HDAC8HDAC2
SCHEMBL31542055 0.79 NPC1 (0.70) HDAC6HDAC1HDAC11HDAC8HDAC2
SCHEMBL31542050 0.78 HDAC6 (0.53) HDAC6HDAC1HDAC11HDAC8HDAC2
SCHEMBL31542064 0.75 ALDH1A1 (0.61) HDAC6HDAC1HDAC11HDAC8HDAC2
SCHEMBL31542049 0.75 NPC1 (0.51) HDAC6HDAC1HDAC11HDAC8HDAC2
SCHEMBL31542068 0.75 ALDH1A1 (0.58) HDAC6HDAC1HDAC11HDAC8HDAC2
SCHEMBL24031096 0.74 HDAC1 (0.76) HDAC6HDAC1HDAC11HDAC8HDAC10
SCHEMBL31542069 0.73 ALDH1A1 (0.75) HDAC1CYP3A4CYP2C9CYP2C19NPC1

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
EP-4622964-A1 QUINAZOLINONE DERIVATIVES FOR HDAC INHIBITION Gilva Therapeutics Co., Ltd. (TW) 2025-10-01 EP disclosed
WO-2025085669-A1 QUINAZOLINONE DERIVATIVES FOR HDAC INHIBITION GILVA THERAPEUTICS CO., LTD. (CN) 2025-04-24 WO disclosed