SCHEMBL9739008

SCHEMBL9739008

O=C1c2ccccc2C2(c3ccc(Cl)cc3)CCCN12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
XBP1 P17861 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
MDM2 Q00987 5/20 0.47
PGR P06401 2/20 0.47
CHRM5 P08912 7/20 0.46
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL9742164 0.88 CHRM5 (0.47) SMN1; SMN2HTTLMNANPSR1KMT2A
SCHEMBL9744919 0.86 HTT (0.40) SMN1; SMN2HTTLMNANPSR1KMT2A
SCHEMBL9741939 0.86 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNANPSR1KMT2A
SCHEMBL9739497 0.86 MAPT (0.46) SMN1; SMN2HTTLMNANPSR1KMT2A
SCHEMBL9738615 0.86 CHRM5 (0.46) SMN1; SMN2HTTKMT2AMEN1MDM2
SCHEMBL9740279 0.85 HTT (0.47) SMN1; SMN2HTTLMNANPSR1KMT2A
SCHEMBL9743436 0.84 GRIN1 (0.39) SMN1; SMN2HTTLMNANPSR1KMT2A
SCHEMBL9743860 0.84 HTT (0.41) SMN1; SMN2HTTLMNANPSR1KMT2A
SCHEMBL9738986 0.83 RXFP1 (0.42) SMN1; SMN2HTTKMT2AMEN1CHRM5
SCHEMBL9738947 0.83 HTT (0.42) SMN1; SMN2HTTLMNANPSR1KMT2A

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