SCHEMBL27499430

SCHEMBL27499430

C=CCc1[nH]nnc1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ DCUN1D1 Q96GG9 2/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ PKM P14618 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PRNP P04156 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6553504 0.82 SLC6A2 (0.34) GAADCUN1D1NPC1RAB9ASMN1; SMN2
SCHEMBL8583338 0.80 DPP4 (0.42) GAADCUN1D1NPC1RAB9ASMN1; SMN2
SCHEMBL9706893 0.78 HPGD (0.36) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL284396 0.77 NMT1 (0.50) GAADCUN1D1NPC1RAB9ASMN1; SMN2
SCHEMBL11496531 0.76 GAA (0.38) GAADCUN1D1NPC1RAB9ASMN1; SMN2
Alcohol SCHEMBL9348509 0.75 DPP4 (0.39) GAADCUN1D1NPC1RAB9ASMN1; SMN2
SCHEMBL29202958 0.75 GAA (0.37) GAADCUN1D1NPC1RAB9ASMN1; SMN2
SCHEMBL11435441 0.75 PLA2G7 (0.40) GAADCUN1D1NPC1RAB9ASMN1; SMN2
SCHEMBL284418 0.75 HTR7 (0.44) GAADCUN1D1NPC1RAB9ASMN1; SMN2
SCHEMBL284488 0.75 GAA (0.37) GAADCUN1D1NPC1RAB9ASMN1; SMN2

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
CN-100526413-C Monocarboxylic acid based antifreeze composition ASHLAND INC (US) 2009-08-12 — — CN disclosed
CN-1200990-C Monocarboxylic acid based antifreeze composition for diesel engines ASHLAND INC (US) 2005-05-11 — — CN disclosed
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