SCHEMBL8723486

SCHEMBL8723486

NC(=S)N(C(=O)c1ccccc1)c1ncccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ADORA3 P0DMS8 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28603035 0.86 KMT2A (0.56) KMT2ATSHRTDP1L3MBTL1POLB
Propane SCHEMBL11522719 0.81 TSHR (0.51) KMT2ATSHRL3MBTL1POLBMAPT
SCHEMBL2762261 0.80 ALDH1A1 (0.50) KMT2ATSHRTDP1L3MBTL1POLB
SCHEMBL9392368 0.76 TSHR (0.41) KMT2ATSHRTDP1ALDH1A1ADORA3
SCHEMBL6434924 0.75 KDM4E (0.42) L3MBTL1MAPTHSD17B10ALDH1A1ADORA3
SCHEMBL10618369 0.75 TSHR (0.55) KMT2ATSHRTDP1L3MBTL1POLB
SCHEMBL8613623 0.75 GAA (0.46) TSHRTDP1L3MBTL1POLBCYP3A4
SCHEMBL27534116 0.75 ALDH1A1 (0.44) KMT2ATSHRTDP1L3MBTL1POLB
SCHEMBL11477748 0.74 ALDH1A1 (0.37) TSHRTDP1L3MBTL1POLBCYP3A4
SCHEMBL31319103 0.74 TSHR (0.46) KMT2ATSHRTDP1L3MBTL1POLB

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
EP-0857483-A1 Substituted aminopyridines in the treatment of glucose metabolism disorders ELI LILLY AND COMPANY (US) 1998-08-12 EP disclosed
US-4323570-A HYPOTENSIVE AGENTS AND TREATING GLAUCOMA BEIERSDORF AKTIENGESELLSCHAFT (DE) 1982-04-06 US disclosed