SCHEMBL30747820

SCHEMBL30747820

COc1ccc(-c2cc(CCC(=O)NO)c3cc(F)ccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.62
DHODH Q02127 3/20 0.50
ACP1 P24666 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
ADAM17 P78536 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
SCHEMBL26649384 1.00 PLA2G2A (0.62) PLA2G2ADHODHACP1HDAC1HDAC3
SCHEMBL26649578 0.93 PLA2G2A (0.54) PLA2G2ADHODHACP1HDAC1HDAC3
SCHEMBL30747809 0.89 PLA2G2A (0.48) PLA2G2ADHODHHDAC1HDAC3HDAC4
SCHEMBL26649429 0.89 PLA2G2A (0.48) PLA2G2ADHODHHDAC1HDAC3HDAC4
Hydrochloric Acid SCHEMBL26649433 0.88 PLA2G2A (0.62) PLA2G2ADHODHACP1KDM4EALDH1A1
SCHEMBL30747749 0.88 DHODH (0.47) PLA2G2ADHODHHDAC1HDAC2HDAC8
SCHEMBL26649477 0.88 DHODH (0.47) PLA2G2ADHODHHDAC1HDAC2HDAC8
SCHEMBL26649458 0.87 KDM4E (0.57) ACP1HDAC1KDM4EALDH1A1MEN1
SCHEMBL30747799 0.87 DHODH (0.54) PLA2G2ADHODHHDAC1HDAC3HDAC4
SCHEMBL26649377 0.87 DHODH (0.54) PLA2G2ADHODHHDAC1HDAC3HDAC4

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-2023219456-A1 QUINOLINE-BASED HISTONE DEACETYLASE INHIBITORY SUBSTANCES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT 숙명여자대학교 산학협력단 2023-11-16 WO claimed