SCHEMBL9738947

SCHEMBL9738947

O=C1c2ccccc2C2(c3ccccc3Cl)CCCN12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PGR P06401 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
SLC6A4 P31645 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
OPRK1 P41145 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9740491 0.84 MEN1 (0.40) HTTSMN1; SMN2PGRMEN1KMT2A
SCHEMBL9739008 0.83 SMN1; SMN2 (0.55) HTTSMN1; SMN2PGRMEN1KMT2A
SCHEMBL9738757 0.82 NPC1 (0.43) HTTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9742164 0.82 CHRM5 (0.47) HTTSMN1; SMN2PGRMEN1KMT2A
SCHEMBL9739249 0.80 SLC6A3 (0.40) HTTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9740279 0.80 HTT (0.47) HTTSMN1; SMN2PGRMEN1KMT2A
SCHEMBL9739810 0.79 PARP1 (0.47) NPC1POLBOPRK1OPRM1NPY5R
SCHEMBL9738938 0.79 NPC1 (0.40) HTTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9738986 0.77 RXFP1 (0.42) HTTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9738615 0.77 CHRM5 (0.46) HTTSMN1; SMN2PGRMEN1KMT2A

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