SCHEMBL9469693

SCHEMBL9469693

CC(C(=O)O)n1nnnc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALOX5 P09917 1/20 0.40
HTR2C P28335 2/20 0.40
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRNP P04156 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAP3K5 Q99683 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL9690023 0.80 KDM4E (0.38) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL9688895 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDKMT2APRNP
SCHEMBL9690579 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL9689439 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL9688900 0.73 KDM4E (0.41) KDM4EALDH1A1HPGDALOX5GAA
SCHEMBL9690027 0.73 HDAC6 (0.38) KDM4EALDH1A1KMT2AGAARAB9A
SCHEMBL9689433 0.73 ALDH1A1 (0.49) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL9688569 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL9695863 0.73 GSK3B (0.45) KDM4EALDH1A1HPGDHTR2CMAPT
SCHEMBL9469700 0.73 ALDH1A1 (0.51) KDM4EALDH1A1HPGDKMT2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252592-A Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 US disclosed
EP-0495526-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-07-22 EP disclosed