SCHEMBL7652467

SCHEMBL7652467

c1ccc(N(c2ccccc2)c2ccc(-c3c4cc5ccccc5cc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc5c(ccc6ccccc65)cc34)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
HIF1A Q16665 1/20 0.50
CYP1B1 Q16678 1/20 0.50
ESR1 P03372 7/20 0.41
ESR2 Q92731 7/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.36
SOS1 Q07889 1/20 0.35
HPRT1 P00492 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9971807 0.89 ESR1 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL9971928 0.89 ALOX5 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL9971927 0.88 ESR1 (0.46) ALDH1A1ESR1ESR2CYP1A2HPGD
SCHEMBL13015753 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL9971946 0.87 ESR1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL13147141 0.86 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL12442831 0.86 ALOX5 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL7654479 0.85 ALDH1A1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL7654046 0.85 ALDH1A1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL14099792 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489046-B1 CONTAINING SUCH AS 8,15-DIPHENYL OR A 8,15-BIS(BIPHENYL)-BENZO(A)PENTACENE; EMITS HIGH PURITY REDDISH LIGHT; EFFICIENT, LONG LIFE; PLANAR LIGHT EMITTING MEMBER FOR TELEVISIONS; BACK LIGHT FOR DISPLAYS IDEMITSU KOSAN CO., LTD. (JP) 2002-12-03 US disclosed
EP-1138744-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2001-10-04 EP disclosed