SCHEMBL10032344

SCHEMBL10032344

Cc1ccc2ccc3ccc(-c4ccc(-c5ccc6ccc7ccc(C)cc7c6n5)cc4)nc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
CYP2A6 P11509 3/20 0.42
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
GAK O14976 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
SCHEMBL10032359 0.98 CYP1A2 (0.41) CYP1A2CYP2A6MAOASMN1; SMN2TP53
SCHEMBL10032376 0.91 CYP2A6 (0.43) CYP1A2CYP2A6MAOASMN1; SMN2KDM4E
SCHEMBL10032409 0.90 ENPP3 (0.44) CYP1A2CYP2A6MAOAKDM4EALDH1A1
SCHEMBL11962346 0.90 PARP1 (0.38) CYP1A2CYP2A6MAOASMN1; SMN2KDM4E
SCHEMBL10032396 0.90 ENPP3 (0.44) CYP1A2CYP2A6MAOAKDM4EALDH1A1
SCHEMBL10032479 0.90 ALDH1A1 (0.44) CYP1A2CYP2A6MAOATP53KDM4E
SCHEMBL11962344 0.90 KDM4E (0.42) CYP1A2CYP2A6MAOASMN1; SMN2TP53
SCHEMBL10032384 0.89 ENPP3 (0.41) SMN1; SMN2TP53KDM4EALDH1A1MEN1
SCHEMBL10032360 0.89 ENPP3 (0.41) SMN1; SMN2TP53KDM4EALDH1A1MEN1
SCHEMBL10032458 0.89 ALDH1A1 (0.43) CYP1A2CYP2A6MAOATP53KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed