SCHEMBL9568847

SCHEMBL9568847

O=C(O)Cn1nnnc1-c1occ2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
KDM4C Q9H3R0 1/20 0.43
CMA1 P23946 1/20 0.43
TSHR P16473 1/20 0.41
ALOX15 P16050 2/20 0.39
HSD11B1 P28845 2/20 0.38
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9690103 0.85 ALDH1A1 (0.43) ALDH1A1HPGDTSHRHSD11B1HSD17B10
SCHEMBL9568708 0.83 MAPK1 (0.37) ALDH1A1HPGDTSHRHSD11B1HSD17B10
SCHEMBL9469700 0.77 ALDH1A1 (0.51) ALDH1A1HPGDKDM4CCMA1TSHR
SCHEMBL9689917 0.74 ALDH1A1 (0.48) ALDH1A1HPGDKDM4CCMA1TSHR
SCHEMBL5966693 0.74 ALDH1A1 (0.74) ALDH1A1HPGDKDM4CTSHRALOX15
SCHEMBL8791207 0.72 ALDH1A1 (0.65) ALDH1A1HPGDKDM4CTSHRHSD11B1
SCHEMBL9469451 0.72 ALDH1A1 (0.62) ALDH1A1HPGDKDM4CHSD11B1TDP1
SCHEMBL8947261 0.72 ALDH1A1 (0.75) ALDH1A1HPGDKDM4CALOX15HSD11B1
SCHEMBL9568844 0.72 KDM4E (0.51) ALDH1A1HPGDKDM4CTSHRALOX15
SCHEMBL8947331 0.71 ALDH1A1 (0.84) ALDH1A1HPGDKDM4CHSD11B1

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-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed