SCHEMBL10943616

SCHEMBL10943616

O=C(NC(C(=O)Nc1ncco1)C(=O)c1cccc(C(F)(F)F)c1)C(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.40
▸ KCNQ2 O43526 2/20 0.40
▸ KCNE1 P15382 2/20 0.40
▸ KCNQ1 P51787 2/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ KCNQ5 Q9NR82 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CES2 O00748 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ FFAR2 O15552 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL10946561 0.80 NPC1 (0.44) KCNQ3KCNQ2KCNE1KCNQ1TLR7
SCHEMBL10946169 0.78 NPC1 (0.48) KCNQ3KCNQ2KCNE1KCNQ1TLR7
SCHEMBL10660312 0.74 TLR7 (0.47) KCNQ3KCNQ2KCNE1KCNQ1TLR7
SCHEMBL9839297 0.73 TLR7 (0.46) KCNQ3KCNQ2KCNE1KCNQ1TLR7
SCHEMBL10660806 0.72 RECQL (0.46) NPSR1TAS1R3TAS1R1NPC1FFAR2
SCHEMBL9839295 0.71 HTT (0.48) NPSR1TSHRHSD17B10NPC1FFAR2
SCHEMBL10665055 0.71 CYP1A2 (0.46) NPSR1TAS1R3TAS1R1NPC1FFAR2
SCHEMBL10945760 0.71 NPC1 (0.43) KCNQ3KCNQ2KCNE1KCNQ1TLR7
SCHEMBL10660923 0.71 NPC1 (0.44) TLR7CES2TSHRHSD17B10NPC1
SCHEMBL28669423 0.69 CES2 (0.65) KCNQ3KCNQ2KCNE1KCNQ1TLR7

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
US-4518775-A Benzoxazine-4-one intermediates ROUSSEL UCLAF (FR) 1985-05-21 — — US disclosed
US-4397856-A Analgesic 4-hydroxy-3-quinolinecarboxamides ROUSSEL UCLAF (FR) 1983-08-09 — — US disclosed
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