SCHEMBL13844458

SCHEMBL13844458

Cc1nnc(-c2cccc(C(F)(F)F)c2)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.60
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
OXTR P30559 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
TP53 P04637 1/20 0.45

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
SCHEMBL1104411 0.84 KDM4E (0.49) AVPR1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL932248 0.82 AVPR1A (0.52) AVPR1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL515383 0.79 AVPR1A (0.92) AVPR1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14077013 0.79 KDM4E (0.55) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL13197412 0.79 AVPR1A (0.50) AVPR1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL17207301 0.79 SCN2A (0.47) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL13197418 0.79 AVPR1A (0.45) AVPR1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL27936794 0.78 AVPR1A (0.89) AVPR1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28332404 0.78 AVPR1A (0.89) AVPR1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29406171 0.78 AVPR1A (0.89) AVPR1AALDH1A1HPGDKDM4EHSD17B10

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-1707353-B1 Planographic printing plate precursor having an image-recording layer containing an infrared ray absorbent, a polymerization initiator, a polymerizable compound, and a thiol compound FUJIFILM CORP (JP) 2009-05-13 EP disclosed