SCHEMBL8568491

SCHEMBL8568491

CN(C)C(=O)c1ccc(F)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.47
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
CXCR5 P32302 1/20 0.44
AR P10275 1/20 0.41
KEAP1 Q14145 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
PDK2 Q15119 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ERN1 O75460 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HPGD P15428 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
SCHEMBL13166718 0.81 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2KDM4ECNR1
SCHEMBL401068 0.80 CNR1 (0.47) MEN1KMT2AKDM4ECNR1CNR2
SCHEMBL29392762 0.80 CNR1 (0.47) MEN1KMT2AKDM4ECNR1CNR2
SCHEMBL249578 0.78 NR4A1 (0.52) KDM4ECNR1CNR2CXCR5ALDH1A1
SCHEMBL254968 0.78 MEN1 (0.61) MEN1KMT2ASMN1; SMN2KDM4EKEAP1
SCHEMBL27982028 0.77 CYP2C9 (0.61) MEN1KMT2ASMN1; SMN2CNR2MAPT
SCHEMBL4031210 0.76 ALDH1A1 (0.57) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL2174146 0.76 ATM (0.60) KMT2AKDM4ECNR1CNR2CXCR5
SCHEMBL7970116 0.76 GAA (0.61) CNR1CNR2CXCR5GAAPDK2
SCHEMBL1096857 0.76 BRD4 (0.50) MEN1KMT2AKDM4ECXCR5MAPT

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