SCHEMBL13476151

SCHEMBL13476151

CC(CCN)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 5/20 0.37
CYP2C19 P33261 2/20 0.36
HRH1 P35367 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN7 P35236 1/20 0.35
BLM P54132 1/20 0.35
ESR2 Q92731 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 2/20 0.33

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
SCHEMBL1986424 0.83
SCHEMBL222564 0.81 KMT2A (0.39) ALOX5ALDH1A1KMT2APOLBPKM
SCHEMBL12969165 0.78 KMT2A (0.38) ALOX5ALDH1A1KMT2APOLBPKM
SCHEMBL1868809 0.76 KMT2A (0.38) ALOX5ALDH1A1KMT2APOLBPKM
SCHEMBL22343376 0.76 ALDH1A1 (0.36) ALOX5ALDH1A1CYP2C19KMT2APOLB
SCHEMBL826815 0.76
SCHEMBL8245610 0.76
SCHEMBL13881159 0.76
SCHEMBL10975719 0.76
SCHEMBL21004952 0.75 ALOX5 (0.41) ALOX5ALDH1A1CYP2C19KMT2APOLB

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
WO-2010018867-A1 DI-SUBSTITUTED BENZOPYRANE COMPOUND 日産化学工業株式会社 (JP) 2010-02-18 WO disclosed