SCHEMBL8720338

SCHEMBL8720338

CCC(=O)N(C)c1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.57
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 3/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 3/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
ESR1 P03372 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
SCHEMBL21765852 0.83 ALDH1A1 (0.43) TACR1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL5883327 0.82 TACR1 (0.54) TACR1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL11963730 0.81 ALDH1A1 (0.50) TACR1KMT2ASMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL5883686 0.80 TACR1 (0.52) TACR1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL31393815 0.79 TACR1 (0.51) TACR1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL13041531 0.77 POLB (0.51) SMN1; SMN2ALDH1A1LTB4R2KDM4EMAPT
SCHEMBL4781144 0.77 CYP3A4 (0.46) ALDH1A1KDM4EMAPTTSHR
SCHEMBL21765870 0.77 TSPO (0.49) TACR1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7450697 0.76 TACR1 (0.49) TACR1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7451450 0.76 TACR1 (0.63) TACR1KMT2ASMN1; SMN2MEN1ALDH1A1

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-5827869-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 US disclosed