SCHEMBL10691421

SCHEMBL10691421

O=Cc1ccc2c(c1)CCCN2CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
HPGD P15428 4/20 0.57
MAPT P10636 4/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMAD3 P84022 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MGAT2 Q10469 1/20 0.43

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
SCHEMBL10685760 0.89 HRH3 (0.50) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL1461837 0.87 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL10690217 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL8778013 0.85 MEN1 (0.47) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL31377830 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL29100113 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL19873004 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL21248477 0.81 MEN1 (0.58) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7487255 0.79 MAPT (0.63) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL10684164 0.79 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTGAA

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
US-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 US disclosed