SCHEMBL11226342

SCHEMBL11226342

O=C(O)C(=O)Nc1nc(C2CCCCC2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.56
TMIGD3 P0DMS9 3/20 0.56
RORC P51449 1/20 0.52
RAB9A P51151 4/20 0.47
ADORA2A P29274 2/20 0.46
LMNA P02545 2/20 0.45
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TYR P14679 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL9893178 0.84 TMIGD3 (0.61) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL11220024 0.80 ALDH1A1 (0.60) ADORA1TMIGD3RORCRAB9AALDH1A1
SCHEMBL9891514 0.80 ADORA1 (0.86) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL9891912 0.80 ADORA1 (0.57) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL9892783 0.80 RORC (0.65) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL4969168 0.80 ADORA1 (0.68) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL9892839 0.79 ADORA1 (0.52) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL16253074 0.77 ADORA1 (0.50) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL13257151 0.77 ADORA1 (0.50) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL26884163 0.76 RAB9A (0.55) ADORA1TMIGD3RORCRAB9AADORA2A

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
US-4321372-A Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides PFIZER INC. (US) 1982-03-23 US disclosed