SCHEMBL9739249

SCHEMBL9739249

O=C1c2ccccc2C2(c3cccc4ccccc34)CCCN12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.40
POLB P06746 2/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
MDM2 Q00987 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL9739705 0.86 MEN1 (0.37) SLC6A3POLBMEN1KMT2ANPC1
SCHEMBL9739485 0.82 CYP1A2 (0.37) POLBMEN1KMT2ANPC1HTT
SCHEMBL9739775 0.82 NPC1 (0.38) POLBNPC1HTTSMN1; SMN2
SCHEMBL9740491 0.81 MEN1 (0.40) POLBMEN1KMT2ANPC1HTT
SCHEMBL9740046 0.81 NPC1 (0.37) POLBMEN1KMT2ANPC1HTT
SCHEMBL9740266 0.81 SLC22A12 (0.38) POLBMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9739157 0.81 PARP1 (0.39) POLBMEN1KMT2ANPC1HTT
SCHEMBL9740469 0.80 GAA (0.43) POLBMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9738757 0.80 NPC1 (0.43) POLBMEN1KMT2ANPC1HTT
SCHEMBL9738947 0.80 HTT (0.42) POLBSLC6A4MEN1KMT2ANPC1

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