SCHEMBL8920574

SCHEMBL8920574

COc1ccc2sc(C(=O)O)c(OCC#N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.50
ICAM1 P05362 2/20 0.49
SELE P16581 2/20 0.49
VCAM1 P19320 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MPO P05164 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN1 P18031 2/20 0.39
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
PRNP P04156 1/20 0.38

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
SCHEMBL6652985 0.89 ICAM1 (0.51) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL6995489 0.84 EDNRA (0.54) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL30724572 0.82 ICAM1 (0.58) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL9362508 0.82 EDNRA (0.52) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL6652136 0.80 PTPN2 (0.52) EDNRAKDM4EALDH1A1LMNAPTPN1
SCHEMBL9374943 0.80 EDNRA (0.71) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5219829 0.76 EDNRA (0.54) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5040288 0.76 ICAM1 (0.78) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5212761 0.74 ICAM1 (0.50) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5212677 0.74 RXFP1 (0.60) EDNRAICAM1SELEVCAM1L3MBTL1

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-5703069-A USING (THIA, OXA, OR DI)AZEPINONE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed