SCHEMBL10042908

SCHEMBL10042908

CCCCc1ccc(N(c2ccc(-c3cccc(-c4cccnc4)c3)cc2)c2ccc(-c3cccc(-c4cccnc4)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2A6 P11509 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
EPHX2 P34913 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL10042896 0.95 CYP3A4 (0.56) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12435674 0.87 CYP3A4 (0.64) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15060898 0.83 TDP1 (0.67) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13527201 0.82 TDP1 (0.65) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13809302 0.80 RARB (0.51) ALDH1A1MEN1KMT2AHSD11B1MAPT
SCHEMBL10042907 0.79 HSD11B1 (0.53) ALDH1A1MEN1KMT2APSMB5HSD11B1
SCHEMBL16068455 0.78 CYP2A6 (0.62) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11887113 0.78 HSD11B1 (0.58) ALDH1A1MEN1KMT2AHSD11B1MAPT
SCHEMBL12386345 0.78 HSD11B1 (0.58) ALDH1A1MEN1KMT2AHSD11B1MAPT
SCHEMBL10042894 0.78 HSD11B1 (0.58) ALDH1A1MEN1KMT2AHSD11B1MAPT

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-20120037889-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE AND ILLUMINATION DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-02-16 US disclosed