SCHEMBL10656017

SCHEMBL10656017

O=C(CCc1ccc(F)cc1)c1cncnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
P2RX7 Q99572 1/20 0.46
FFAR1 O14842 1/20 0.45
HTR7 P34969 1/20 0.41
NTRK1 P04629 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 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
SCHEMBL9364176 0.83 KMT2A (0.52) SLC5A1SLC5A2FFAR1
SCHEMBL10559396 0.82 NPC1 (0.67) SLC5A1SLC5A2NPC1RAB9AFFAR1
SCHEMBL31407154 0.81 L3MBTL1 (0.55) SLC5A1SLC5A2NPC1RAB9AFFAR1
SCHEMBL659281 0.77 NPC1 (0.59) SLC5A1SLC5A2NPC1RAB9AFFAR1
SCHEMBL6158144 0.75 NPC1 (0.56) SLC5A1SLC5A2NPC1RAB9AFFAR1
SCHEMBL657632 0.75 TP53 (0.59) SLC5A1SLC5A2NPC1RAB9AHTR7
SCHEMBL11612967 0.75 HTR7 (0.59) SLC5A1SLC5A2NPC1RAB9AFFAR1
SCHEMBL6202254 0.75 TP53 (0.59) SLC5A1SLC5A2NPC1RAB9AHTR7
SCHEMBL20262696 0.75 NPC1 (0.56) SLC5A1SLC5A2NPC1RAB9AFFAR1
SCHEMBL28012695 0.74 NPC1 (0.65) NPC1RAB9AHTR7PLAAT3PLAAT5

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-0277520-A2 Parasiticide on a pyrimidine derivative basis BAYER AG (DE) 1988-08-10 EP claimed