SCHEMBL9688550

SCHEMBL9688550

Cc1cccc2sc(-c3nnnn3C(C)C(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PRNP P04156 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.38
SLC9A1 P19634 2/20 0.38
NPC1 O15118 1/20 0.38
PLAU P00749 1/20 0.36
MAP3K5 Q99683 5/20 0.35
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9689963 0.87 HDAC3 (0.43) ALDH1A1KDM4EPRNPHPGDRAB9A
SCHEMBL9688900 0.83 KDM4E (0.41) ALDH1A1KDM4EPRNPHPGDRAB9A
SCHEMBL9689969 0.78 HDAC3 (0.39) ALDH1A1KDM4EPRNPHPGDRAB9A
SCHEMBL9689433 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EPRNPHPGDRAB9A
SCHEMBL9689487 0.76 HDAC6 (0.43) ALDH1A1KDM4EPRNPHPGDRAB9A
SCHEMBL9688557 0.75 KDM4E (0.40) ALDH1A1KDM4EPRNPHPGDRAB9A
SCHEMBL9688573 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EPRNPHPGDRAB9A
SCHEMBL9690025 0.74 PPARA (0.42) ALDH1A1KDM4ERAB9ATP53NPC1
SCHEMBL9689951 0.74 TDP1 (0.41) KDM4ERAB9AMAPTNPC1KMT2A
SCHEMBL9690023 0.73 KDM4E (0.38) ALDH1A1KDM4EPRNPHPGDRAB9A

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