SCHEMBL14889396

SCHEMBL14889396

C1=CC(c2ccc3ccc4ccccc4c3c2)=N1

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 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 3/20 0.43
CYP1A2 P05177 4/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.37
PAX8 Q06710 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 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
SCHEMBL14889356 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL25411836 0.79 ALDH1A1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL31171124 0.79 ALDH1A1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL383544 0.74 HPRT1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL19336383 0.74 HPRT1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL14889357 0.73 HPRT1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL19336403 0.73 HPRT1 (0.67) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL6559203 0.73 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL14889438 0.72 CYP11B1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL23759301 0.72 HPRT1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6

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
EP-1932195-B1 SCAVENGER MATERIALS IN FUEL CARTRIDGE BIC SOC (FR) 2013-05-01 EP claimed