SCHEMBL7745683

SCHEMBL7745683

O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.82
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
TRPA1 O75762 2/20 0.65
CYP1A2 P05177 1/20 0.65
KCNK3 O14649 3/20 0.61
HPGD P15428 1/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.57
RXFP1 Q9HBX9 1/20 0.56
KCNK9 Q9NPC2 1/20 0.55
NR2E1 Q9Y466 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
P2RX4 Q99571 1/20 0.55
P2RX7 Q99572 1/20 0.55

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
SCHEMBL23447713 0.91 P2RX1 (1.00) P2RX1NPC1RAB9ATRPA1CYP1A2
SCHEMBL30455592 0.85 NPC1 (0.74) P2RX1NPC1RAB9AKCNK3HPGD
SCHEMBL683803 0.85 PTGS1 (0.68) P2RX1NPC1RAB9ATRPA1CYP1A2
SCHEMBL26095994 0.85 P2RX1 (0.64) P2RX1KCNK3LMNAMAPTRXFP1
SCHEMBL6054935 0.84 MEN1 (0.73) P2RX1TRPA1KCNK3LMNARXFP1
SCHEMBL25777244 0.84 P2RX1 (0.80) P2RX1NPC1RAB9ATRPA1CYP1A2
SCHEMBL5668018 0.84 P2RX1 (0.80) P2RX1NPC1RAB9ATRPA1CYP1A2
SCHEMBL30554615 0.83 P2RX1 (0.65) P2RX1TRPA1MAPTRXFP1P2RX4
SCHEMBL3246188 0.83 P2RX1 (0.65) P2RX1TRPA1MAPTRXFP1P2RX4
SCHEMBL3028317 0.83 P2RX1 (0.61) P2RX1TRPA1CYP1A2KCNK3LMNA

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
EP-1129075-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2001-09-05 EP disclosed
WO-2000027820-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2000-05-18 WO disclosed