SCHEMBL9740830

SCHEMBL9740830

COc1ccc2c[c][nH]c2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ACHE P22303 1/20 0.33
NQO2 P16083 2/20 0.32
CYP19A1 P11511 1/20 0.32
NQO1 P15559 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6181005 0.81 KDM4E (0.39) MAPTKDM4ENQO2CYP19A1ALDH1A1
SCHEMBL9740069 0.75 CYP1A2 (0.37) MAPTPOLBTSHR
SCHEMBL4477746 0.74 CA12 (0.41) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL17658971 0.71 MEN1 (0.40) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL9740158 0.69 KDM4E (0.41) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL9740551 0.69 KDM4E (0.35) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL29793327 0.68 ACHE (0.52) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL1635785 0.68 ACHE (0.52) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL9740260 0.65 PDE3B (0.40) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL5865329 0.65 KDM4E (0.46) MAPTKDM4EMEN1KMT2APOLB

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