SCHEMBL16454817

SCHEMBL16454817

O=C(Cc1ccsc1)Nc1cccn2c(C3CCC3)nnc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ HSD11B1 P28845 3/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ GLS O94925 5/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NSD2 O96028 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ MAPT P10636 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
SCHEMBL16454821 0.82 HSD11B1 (0.44) HSD11B1
SCHEMBL16454887 0.76 GAA (0.53) POLBMEN1KMT2AMAPT
SCHEMBL16454822 0.72 HSD11B1 (0.43) POLBHSD11B1RAB9ANPC1
SCHEMBL16454895 0.71 HSD11B1 (0.48) HSD11B1MEN1KMT2ARAB9ANPC1
SCHEMBL16454833 0.70 SMN1; SMN2 (0.51) POLBMEN1KMT2AMAPT
SCHEMBL16454831 0.69 HPGD (0.53) POLBMEN1KMT2ARAB9ATDP1
SCHEMBL16454834 0.69 MAPK1 (0.49) HSD11B1MEN1KMT2ARAB9ANPC1
SCHEMBL16454893 0.68 NPSR1 (0.55) POLBHSD11B1MEN1KMT2ARAB9A
SCHEMBL16454882 0.68 SMN1; SMN2 (0.54) MEN1KMT2AMAPT
SCHEMBL16454903 0.67 ALOX15 (0.47) HSD11B1MEN1KMT2ARAB9ANPC1

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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