SCHEMBL9739148

SCHEMBL9739148

[c]1c[nH]c2cc(-c3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
FGFR1 P11362 1/20 0.41
JAK2 O60674 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
IMPDH2 P12268 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
NOTUM Q6P988 1/20 0.37
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
DYRK2 Q92630 1/20 0.37

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
SCHEMBL6220225 0.85 NPC1 (0.47) NPC1FGFR1JAK2KDM4EMEN1
SCHEMBL2400449 0.75 TDO2 (0.54) IMPDH2ALOX5HSD17B10
SCHEMBL9741544 0.74 TNKS2 (0.49) KDM4EMEN1MAPTKMT2ATNKS2
SCHEMBL9740109 0.73 IDH1 (0.42) MEN1KMT2AGSK3BFEN1LMNA
SCHEMBL1538 0.72
SCHEMBL9739133 0.72 CDK4 (0.42) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL21494513 0.70 TRPA1 (0.32) IMPDH2ALDH1A1HSD17B10
SCHEMBL207535 0.69 AHR (0.42) FGFR1JAK2IMPDH2CLK2GSK3B
SCHEMBL2955170 0.69 TYR (0.42) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL6048398 0.67 MAOA (0.43) NPC1JAK2KDM4EMEN1GAA

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed