SCHEMBL3831129

SCHEMBL3831129

c1ccc(N(c2ccccc2)c2ccc3ccccc3c2N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP2A6 P11509 3/20 0.42
TSHR P16473 2/20 0.42
HPRT1 P00492 1/20 0.39
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
PTPN1 P18031 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
PAK1 Q13153 1/20 0.34

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
SCHEMBL15969516 0.91 HPRT1 (0.50) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL3849854 0.91 HPRT1 (0.50) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL26534686 0.87 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL4629104 0.85 SIGMAR1 (0.43) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL24433020 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL29354487 0.80 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCYP1A2CYP3A4
SCHEMBL313707 0.80 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCYP1A2CYP3A4
SCHEMBL24047297 0.80 ABCG2 (0.39) ALDH1A1HSD17B10TDP1TSHRCYP1A2
SCHEMBL24047365 0.80 CYP1A1 (0.39) ALDH1A1HSD17B10TSHRCYP1B1CYP1A2
SCHEMBL26583298 0.80 CYP1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1621934-B1 Electrophotographic photoconductor for wet developing and image-forming apparatus for wet-developing KYOCERA MITA CORP (JP) 2009-09-09 EP disclosed
US-20060024596-A1 Electrophotographic photoconductor for wet developing and image-forming apparatus for wet developing KYOCERA MITA CORPORATION (JP) 2006-02-02 US disclosed
EP-1621934-A2 Electrophotographic photoconductor for wet developing and image-forming apparatus for wet-developing Kyocera Mita Corporation (JP) 2006-02-01 EP disclosed