SCHEMBL27909862

SCHEMBL27909862

O=CC(Cc1cccc(Cl)c1)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.44
CHRM2 P08172 2/20 0.39
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
HDAC1 Q13547 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 3/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
HSD17B2 P37059 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL27877356 0.78 RECQL (0.41)
SCHEMBL27909858 0.77 PNMT (0.44) PNMTNPC1RAB9AKMT2ACYP3A4
SCHEMBL27894259 0.77 LMNA (0.37) CYP3A4SLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL27864550 0.73 PNMT (0.62) PNMTCHRM2CHRM1CHRM3TAAR1
SCHEMBL27893994 0.73 GABBR2 (0.40) RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL14835351 0.72 ACP3 (0.36) KMT2AHSD17B2SLC6A2SLC6A4SMN1; SMN2
SCHEMBL29869064 0.72 PNMT (0.55) PNMTCHRM2CHRM1CHRM3TAAR1
SCHEMBL11568409 0.72 PNMT (0.55) PNMTCHRM2CHRM1CHRM3TAAR1
SCHEMBL27752111 0.72 GABBR2 (0.39)
SCHEMBL27909846 0.70 PNMT (0.43) PNMTCHRM2CHRM1CHRM3TAAR1

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
CN-103180296-A Piperidinone derivatives as mdm2 inhibitors for the treatment of cancer AMGEN INC 2013-06-26 CN disclosed