SCHEMBL9739497

SCHEMBL9739497

Cc1ccc(C23CCCN2C(=O)c2ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CHRM5 P08912 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
PARP1 P09874 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 3/20 0.43
MDM2 Q00987 3/20 0.43
PGR P06401 1/20 0.42
AKR1B1 P15121 1/20 0.39
MEN1 O00255 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
TP53 P04637 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL9739008 0.86 SMN1; SMN2 (0.55) CHRM5SMN1; SMN2KMT2ALMNANPSR1
SCHEMBL9738615 0.86 CHRM5 (0.46) MAPTCHRM5SMN1; SMN2KMT2ANPC1
SCHEMBL9740223 0.85 CHRM5 (0.48) MAPTCHRM5SMN1; SMN2PARP1NPC1
SCHEMBL9739723 0.85 LMNA (0.46) MAPTCHRM5SMN1; SMN2KMT2ALMNA
SCHEMBL9743423 0.84 PARP1 (0.43) MAPTCHRM5SMN1; SMN2KMT2ALMNA
SCHEMBL9743467 0.84 PARP1 (0.43) MAPTCHRM5KMT2ALMNAPARP1
SCHEMBL9738986 0.83 RXFP1 (0.42) CHRM5SMN1; SMN2KMT2APARP1NPC1
SCHEMBL9738757 0.83 NPC1 (0.43) MAPTCHRM5SMN1; SMN2KMT2ALMNA
SCHEMBL9741164 0.83 CHRM5 (0.49) CHRM5SMN1; SMN2KMT2ANPC1POLB
SCHEMBL9744150 0.82 CHRM5 (0.40) MAPTCHRM5SMN1; SMN2KMT2ALMNA

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
WO-1992016529-A1 NOVEL ISOINDOLE DERIVATIVES AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed