SCHEMBL8568554

SCHEMBL8568554

CN(C)C(=O)c1cc2ccccc2n1C

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.67
SLC9A1 P19634 1/20 0.56
MAPT P10636 1/20 0.55
OPRM1 P35372 2/20 0.54
OPRL1 P41146 2/20 0.54
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
DAO P14920 1/20 0.49
SYK P43405 1/20 0.48
IDO1 P14902 1/20 0.48

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
SCHEMBL29580332 1.00 MCL1 (0.67) MCL1SLC9A1MAPTOPRM1OPRL1
SCHEMBL6368871 0.84 MCL1 (0.59) MCL1SLC9A1MAPTOPRM1OPRL1
SCHEMBL16599480 0.82 MCL1 (0.76) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL117186 0.80 MCL1 (1.00) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL401039 0.80 MCL1 (0.73) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL22022199 0.79 RXFP1 (0.59) MCL1MEN1KMT2AALDH1A1
SCHEMBL31435640 0.79 MCL1 (0.69) MCL1ALDH1A1
SCHEMBL29623497 0.79 MCL1 (0.53) MCL1ALDH1A1SYK
SCHEMBL17102355 0.79 MCL1 (0.53) MCL1ALDH1A1SYK
SCHEMBL2323444 0.79 MCL1 (0.71) MCL1SLC9A1MAPTMEN1NPC1

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed