SCHEMBL9688895

SCHEMBL9688895

CC(C(=O)O)n1nnnc1-c1scc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
PRNP P04156 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
RAB9A P51151 1/20 0.39
USP5 P45974 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MAP3K5 Q99683 4/20 0.33
GPR139 Q6DWJ6 1/20 0.32
PTGS2 P35354 1/20 0.32
MGLL Q99685 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
SCHEMBL9689971 0.86 ALDH1A1 (0.35) KDM4EKMT2AALDH1A1HPGDPRNP
SCHEMBL9689482 0.84 ALDH1A1 (0.34) KDM4EKMT2AALDH1A1HPGDPRNP
SCHEMBL9689940 0.82 TDP1 (0.40) KDM4EALDH1A1HPGDHSD17B10GPR139
SCHEMBL9690031 0.82 TDP1 (0.40) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL9689975 0.81 GPR139 (0.37) KDM4EKMT2AALDH1A1HPGDPRNP
SCHEMBL9689439 0.80 KDM4E (0.45) KDM4EKMT2AALDH1A1HPGDPRNP
SCHEMBL9469693 0.79 KDM4E (0.46) KDM4EKMT2AALDH1A1HPGDPRNP
SCHEMBL9689433 0.78 ALDH1A1 (0.49) KDM4EKMT2AALDH1A1HPGDPRNP
SCHEMBL9688569 0.78 KDM4E (0.43) KDM4EKMT2AALDH1A1HPGDPRNP
SCHEMBL9689989 0.78 APP (0.45) KDM4EKMT2AALDH1A1HPGDPRNP

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