SCHEMBL8944255

SCHEMBL8944255

c1ccc2cc3cc(Nc4ccc(OCCOc5ccc(Nc6ccc7cc8ccccc8cc7c6)cc5Nc5ccc6cc7ccccc7cc6c5)c(Nc5ccc6cc7ccccc7cc6c5)c4)ccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
IGF1R P08069 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RY2 P41231 2/20 0.36
ENTPD1 P49961 2/20 0.36
MKNK1 Q9BUB5 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
SCHEMBL8944034 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD17B10HPGDIGF1R
SCHEMBL8944257 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4HSD17B10HPGDIGF1R
SCHEMBL8943911 0.79 RAB9A (0.40) ALDH1A1CYP3A4HSD17B10HPGDHIF1A
SCHEMBL4406769 0.77 ALDH1A1 (0.74) ALDH1A1CYP3A4HSD17B10HPGDHIF1A
SCHEMBL8943581 0.76 MAPT (0.55) ALDH1A1HSD17B10KDM4EMAPK1TDP1
SCHEMBL8943901 0.76 EGFR (0.54) MAPK1MAPK14MEN1KMT2APOLB
SCHEMBL8944014 0.76 HPGD (0.42) ALDH1A1HPGDCYP2C9CYP2C19KDM4E
SCHEMBL2234411 0.75 ALDH1A1 (0.78) ALDH1A1CYP3A4HSD17B10HPGDHIF1A
SCHEMBL8943948 0.75 NPSR1 (0.51) CYP3A4HIF1ACYP1A2CYP2D6CYP2C9
SCHEMBL8943787 0.74 FADS1 (0.49) ALDH1A1CYP3A4HSD17B10HPGDKDM4E

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed