SCHEMBL8419910

SCHEMBL8419910

N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
BCL2A1 Q16548 1/20 0.44
PTGS2 P35354 3/20 0.42
PTGS1 P23219 1/20 0.42
SCN9A Q15858 3/20 0.41
PIK3CA P42336 1/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PI4KB Q9UBF8 1/20 0.40
MAP2K4 P45985 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
STAT3 P40763 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
SCHEMBL8421502 0.91 CNR1 (0.51) SCN9ACNR1MEN1KMT2ANPSR1
SCHEMBL8420941 0.90 MEN1 (0.52) PTGS2PTGS1SCN9AMEN1KMT2A
SCHEMBL8419290 0.90 CNR1 (0.48) MCL1SCN9ACNR1MEN1KMT2A
SCHEMBL8423236 0.89 MEN1 (0.48) SCN9AMEN1KMT2ANPSR1GPR55
SCHEMBL8896031 0.88 CACNA1H (0.44) SCN9APIK3CAMEN1KMT2ANPSR1
SCHEMBL8894050 0.88 MEN1 (0.48) PTGS2PTGS1SCN9AMEN1KMT2A
SCHEMBL8421067 0.86 SQOR (0.45) SCN9ACNR1MEN1KMT2ANPSR1
SCHEMBL8419444 0.86 EDNRA (0.43) SCN9AMEN1KMT2ANPSR1GPR55
SCHEMBL8421072 0.86 SQOR (0.47) SCN9ACNR1MEN1KMT2AMAP2K4
SCHEMBL8423025 0.85 CNR1 (0.56) CNR1ACLYAR

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-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed