SCHEMBL31542079

SCHEMBL31542079

CCn1c(Cc2ccc(C(=O)OC)cc2)nc2ccc(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 1/20 0.48
TBXA2R P21731 1/20 0.48
IDH1 O75874 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC2 Q92769 1/20 0.45
CNR2 P34972 1/20 0.44
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MMP13 P45452 1/20 0.42
ACSS2 Q9NR19 1/20 0.41

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
SCHEMBL31542065 0.88 HDAC6 (0.59) HDAC1HDAC11HDAC8HDAC6HDAC2
SCHEMBL31542053 0.74 HDAC6 (0.56) HDAC1HDAC11HDAC8HDAC6HDAC2
SCHEMBL23240776 0.73 PDE4A (0.53) KDM4EALDH1A1TSHRAGTR1AGTR2
SCHEMBL31542070 0.72 HDAC6 (0.62) KDM4EALDH1A1HDAC1HDAC11HDAC8
SCHEMBL31542083 0.71 POLB (0.56) KDM4EALDH1A1TSHRDRD2TBXA2R
SCHEMBL31542071 0.71 DRD2 (0.50) PLA2G2AALDH1A1TSHRHSD17B10DRD2
SCHEMBL23280181 0.70 IDH1 (0.60) KDM4EALDH1A1DRD2TBXA2RIDH1
SCHEMBL9198766 0.70 AGTR1 (0.79) DRD2TBXA2RAGTR1AGTR2TLR7
SCHEMBL9199291 0.68 AGTR1 (0.79) DRD2TBXA2RAGTR1AGTR2TLR7
SCHEMBL2883864 0.68 DRD2 (0.71) KDM4EDRD2TBXA2RMEN1KMT2A

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