SCHEMBL16574302

SCHEMBL16574302

Cc1ccc(N(c2ccccc2)c2ccccc2)cc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
S1PR1 P21453 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ESR1 P03372 2/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 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
SCHEMBL14981536 0.87 S1PR1 (0.40) ALDH1A1MAPTS1PR1HPGDTSHR
SCHEMBL13699887 0.85 ALDH1A1 (0.42) L3MBTL1ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL13236078 0.85 SLC16A3 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14948447 0.81 CYP2C19 (0.39) L3MBTL1ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL12404409 0.81 PDCD1 (0.38) L3MBTL1ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL12960555 0.79 S1PR1 (0.52) L3MBTL1ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL6123711 0.78 S100B (0.52) L3MBTL1ALDH1A1TDP1KDM4ECYP3A4
SCHEMBL16574303 0.78 CYP1A2 (0.48) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6123755 0.77 ALDH1A1 (0.40) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL295453 0.77 ALDH1A1 (0.48) L3MBTL1ALDH1A1TDP1KDM4ECYP1A2

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-20150076420-A1 Dye-Sensitized Photoelectric Conversion Element NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-03-19 US disclosed