SCHEMBL16454831

SCHEMBL16454831

O=C(NCC1CCCO1)Nc1cccn2c(C3CCC3)nnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ SHMT2 P34897 1/20 0.49
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ FASN P49327 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ BDKRB1 P46663 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CASP1 P29466 1/20 0.42

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
SCHEMBL16454832 0.71 RAB9A (0.52) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL16454903 0.71 ALOX15 (0.47) HPGDHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL16454902 0.70 MAPK1 (0.47) HPGDHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL16454822 0.69 HSD11B1 (0.43) HPGDALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL16454805 0.69 MAPT (0.50) HSD17B10ALDH1A1KDM4EMAPTRAB9A
SCHEMBL16454833 0.69 SMN1; SMN2 (0.51) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16454806 0.69 KMT2A (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16454807 0.69 HSD11B1 (0.38) MAPTRAB9AMEN1KMT2ACYP1A2
SCHEMBL16454821 0.69 HSD11B1 (0.44) HPGD
SCHEMBL16454906 0.69 GAA (0.45) HPGDHSD17B10ALDH1A1KDM4EMAPT

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
WO-2015020565-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES EXHIBITING ANTAGONIST PROPERTIES TO ADENOSINE A2A RECEPTORS, AND USE THEREOF ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "НЬЮВАК" (ООО "НЬЮВАК") (RU) 2015-02-12 — — WO disclosed
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