SCHEMBL8569641

SCHEMBL8569641

COc1c(C)cccc1C(=O)N(C)c1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.41
HSD17B1 P14061 4/20 0.41
HSD17B2 P37059 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TACR1 P25103 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
MYC P01106 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
POLB P06746 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
SCHEMBL8573485 0.91 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HTTHSD17B1
SCHEMBL8570522 0.83 NPC1 (0.46) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL8573577 0.78 TSHR (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1TACR1
SCHEMBL8818021 0.76 CHRNB2 (0.43) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL8569633 0.75 MEN1 (0.64) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL8567759 0.75 NPSR1 (0.43) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL17207224 0.75 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8818040 0.74 LTB4R (0.42) KMT2AHTTHSD17B1HSD17B2ALDH1A1
SCHEMBL12495722 0.73 HSD17B2 (0.59) HSD17B1HSD17B2KDM4EGAAGPBAR1
SCHEMBL8818195 0.73 RXFP1 (0.46) MEN1KMT2ASMN1; SMN2HTTALDH1A1

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 disclosed