SCHEMBL30747809

SCHEMBL30747809

COc1cccc(-c2cc(CCC(=O)NO)c3cc(F)ccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.48
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
DHODH Q02127 3/20 0.45
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44

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
SCHEMBL26649429 1.00 PLA2G2A (0.48) PLA2G2AHDAC1HDAC2HDAC8HDAC6
SCHEMBL26649450 0.93 HDAC1 (0.49) PLA2G2AHDAC1HDAC2HDAC8HDAC6
SCHEMBL26649384 0.89 PLA2G2A (0.62) PLA2G2AHDAC1HDAC2HDAC8HDAC6
SCHEMBL30747820 0.89 PLA2G2A (0.62) PLA2G2AHDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL26649731 0.89 PLA2G2A (0.48) PLA2G2ADHODHKMT2AKDM4EALDH1A1
SCHEMBL26649396 0.89 MEN1 (0.54) PLA2G2AHDAC1HDAC2HDAC8HDAC6
SCHEMBL30747799 0.86 DHODH (0.54) PLA2G2AHDAC1HDAC2HDAC8HDAC6
SCHEMBL26649377 0.86 DHODH (0.54) PLA2G2AHDAC1HDAC2HDAC8HDAC6
SCHEMBL26649724 0.85 HPGD (0.47) PLA2G2ADHODHKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL26649376 0.83 LTB4R (0.47) PLA2G2ADHODHKMT2AKDM4EALDH1A1

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