SCHEMBL9330660

SCHEMBL9330660

Nc1ccc(-c2ccc(N(c3ccc(N)cc3)c3ccc(N)cc3)c(-c3ccc(N)cc3)c2-c2ccc(N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.35
PSMD14 O00487 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
ALOX15 P16050 1/20 0.34
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL10522612 0.93 ALDH1A1 (0.48) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL4596595 0.92 ACHE (0.41) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL28845467 0.92 ALDH1A1 (0.47) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL29475171 0.92 ALDH1A1 (0.56) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL297638 0.90 ALDH1A1 (0.48) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL28856605 0.89 LOXL2 (0.44) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL1556729 0.88 TDP1 (0.46) CYP3A4TDP1ALDH1A1KDM4EMAPT
SCHEMBL3839738 0.85 ALDH1A1 (0.43) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL6529859 0.81 CYP1A1 (0.38) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL31260548 0.81 ALDH1A1 (0.44) CYP3A4TDP1ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305054-B1 IR-ray absorptive compound and optical recording medium by use thereof CANON KK (JP) 1994-03-30 EP disclosed
US-5245030-A Durability, radiation resistance CANON KABUSHIKI KAISHA (JP) 1993-09-14 US disclosed
US-5108873-A IR-ray absorptive compound and optical recording medium by use thereof CANON KABUSHIKI KAISHA (JP) 1992-04-28 US disclosed
US-4923390-A AMINE OR QUATERNARY SALTS USED AS PHOTOSTABILIZERS WITH METHINE DYES; HEAT AND RADIATION RESISTANCE; DURABILITY; OPTICAL CARDS AND DISKS; LASERS CANON KABUSHIKI KAISHA (JP) 1990-05-08 US disclosed
EP-0305054-A1 IR-ray absorptive compound and optical recording medium by use thereof CANON KABUSHIKI KAISHA (JP) 1989-03-01 EP disclosed