SCHEMBL10606383

SCHEMBL10606383

CCCCCCc1c(Cl)nc(-c2ccc(F)cc2)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 11/20 0.49
▸ HTT P42858 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ DHPS P49366 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL29116868 0.98 GCGR (0.48) GCGRHTTRAB9ASMN1; SMN2NPC1
SCHEMBL9850104 0.86 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1MAPTPTGS2
SCHEMBL10555514 0.82 GCGR (0.52) GCGRHTTRAB9ASMN1; SMN2NPC1
SCHEMBL10559262 0.81 RARB (0.54) GCGRRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL29116869 0.80 GCGR (0.51) GCGRHTTRAB9ASMN1; SMN2NPC1
SCHEMBL9815158 0.79 MGLL (0.44) GCGRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9694782 0.78 MAPT (0.50) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL28827858 0.78 RAB9A (0.46) GCGRHTTRAB9ASMN1; SMN2NPC1
SCHEMBL8405040 0.76 ALDH1A1 (0.44) RAB9ASMN1; SMN2NPC1MAPTPTGS2
SCHEMBL8405038 0.76 ALDH1A1 (0.44) RAB9ASMN1; SMN2NPC1MAPTPTGS2

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-0126949-B1 FLUORINE-CONTAINING PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1989-09-27 — — EP disclosed
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