SCHEMBL9689989

SCHEMBL9689989

CC(C(=O)O)n1nnnc1-c1csc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
ALDH1A1 P00352 7/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 2/20 0.44
PRNP P04156 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.36
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
USP5 P45974 1/20 0.34
CYP2C9 P11712 1/20 0.34

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 0.84 KDM4E (0.38) APPALDH1A1HPGDKDM4EPRNP
SCHEMBL9469693 0.79 KDM4E (0.46) ALDH1A1HPGDKDM4EPRNPRAB9A
SCHEMBL9688895 0.78 KDM4E (0.43) ALDH1A1HPGDKDM4EPRNPRAB9A
SCHEMBL9689433 0.78 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EPRNPRAB9A
SCHEMBL9688573 0.76 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EPRNPRAB9A
SCHEMBL8947138 0.76 KMT2A (0.49) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL9689439 0.75 KDM4E (0.45) ALDH1A1HPGDKDM4EPRNPRAB9A
SCHEMBL9688557 0.75 KDM4E (0.40) ALDH1A1HPGDKDM4EPRNPRAB9A
SCHEMBL9688900 0.73 KDM4E (0.41) APPALDH1A1HPGDKDM4EPRNP
SCHEMBL9690027 0.73 HDAC6 (0.38) ALDH1A1KDM4ERAB9AKMT2AHTT

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