SCHEMBL9689963

SCHEMBL9689963

COc1cccc2sc(-c3nnnn3C(C)C(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SLC9A1 P19634 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
PRNP P04156 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 6/20 0.39
TP53 P04637 4/20 0.39

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
SCHEMBL9688550 0.87 ALDH1A1 (0.42) SLC9A1KDM4EALDH1A1PRNPHPGD
SCHEMBL9688900 0.80 KDM4E (0.41) HDAC1HDAC6KDM4EALDH1A1PRNP
SCHEMBL9689975 0.77 GPR139 (0.37) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9690025 0.77 PPARA (0.42) HDAC6KDM4EALDH1A1RAB9ATP53
SCHEMBL9689969 0.74 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9689433 0.73 ALDH1A1 (0.49) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9689487 0.73 HDAC6 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9688573 0.71 ALDH1A1 (0.47) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL9690023 0.70 KDM4E (0.38) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL8947138 0.68 KMT2A (0.49) HDAC6KDM4EALDH1A1HSD11B1

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
EP-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed