SCHEMBL14889397

SCHEMBL14889397

C1=NC=C1c1cccc2c1ccc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.54
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.46
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
PMP22 Q01453 1/20 0.42
PAX8 Q06710 1/20 0.41
HIF1A Q16665 3/20 0.40
CYP1A2 P05177 3/20 0.40
HPGD P15428 3/20 0.40
CYP1B1 Q16678 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL29769915 0.79 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL29445992 0.79 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL593261 0.79 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL30021505 0.77 HPRT1 (0.74) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL30103588 0.77 HPRT1 (0.74) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL30021848 0.77 HPRT1 (0.74) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL442130 0.77 HPRT1 (0.74) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL25402768 0.74 HPRT1 (0.70) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL30103767 0.74 HPRT1 (0.70) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL30332462 0.74 HPRT1 (0.70) HPRT1ALDH1A1HSD17B10TDP1TSHR

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