SCHEMBL9689917

SCHEMBL9689917

O=C(O)Cn1nnnc1-c1scc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KDM4C Q9H3R0 1/20 0.43
CMA1 P23946 1/20 0.40
TSHR P16473 2/20 0.39
HSD11B1 P28845 2/20 0.38
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
FDPS P14324 1/20 0.37
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL9730904 0.85 TRPV1 (0.43) ALDH1A1HPGDTSHRALOX15HSD17B10
SCHEMBL9469700 0.77 ALDH1A1 (0.51) ALDH1A1HPGDKDM4CCMA1TSHR
SCHEMBL9688895 0.75 KDM4E (0.43) ALDH1A1HPGDHSD17B10RAB9AKMT2A
SCHEMBL9568847 0.74 ALDH1A1 (0.48) ALDH1A1HPGDKDM4CCMA1TSHR
SCHEMBL5966693 0.74 ALDH1A1 (0.74) ALDH1A1HPGDKDM4CTSHRHSD11B1
SCHEMBL9689984 0.74 ALDH1A1 (0.54) ALDH1A1HPGDKDM4CHSD11B1RAB9A
SCHEMBL8790883 0.73 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CTSHRHSD11B1
SCHEMBL8792739 0.73 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CHSD11B1KMT2A
SCHEMBL8790380 0.73 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CTSHRHSD11B1
SCHEMBL9469451 0.72 ALDH1A1 (0.62) ALDH1A1HPGDKDM4CHSD11B1KMT2A

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