SCHEMBL753462

SCHEMBL753462

c1ccc(-p2c3ccccc3c3cc4c(cc32)c2cc3cc5ccccc5cc3cc2p4-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HIF1A Q16665 2/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HBB P68871 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL13669858 0.96 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EMEN1CYP1A2
SCHEMBL753503 0.87 KDM4E (0.30) ALDH1A1HSD17B10KDM4EMEN1CYP1A2
SCHEMBL13674217 0.79 ALDH1A1 (0.31) ALDH1A1HSD17B10HIF1ACYP3A4ALOX15
SCHEMBL753460 0.79 CYP2A6 (0.39) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL12873466 0.79 GPR84 (0.35) ALDH1A1HSD17B10KDM4EMEN1CYP1A2
SCHEMBL12873463 0.78 ESR1 (0.44) ESR1ESR2
SCHEMBL13304280 0.77 GPR84 (0.34) ALDH1A1HSD17B10KDM4EMEN1CYP1A2
SCHEMBL18566177 0.77 KDM4E (0.34) ALDH1A1HSD17B10KDM4EMEN1HPGD
SCHEMBL13304282 0.75 ESR1 (0.36) ALDH1A1HSD17B10KDM4EMEN1CYP1A2
SCHEMBL753447 0.75 CYP2A6 (0.42) ALDH1A1HSD17B10MEN1CYP1A2HPGD

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-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 — — US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 — — US disclosed
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