SCHEMBL6011010

SCHEMBL6011010

COc1ccc(-c2c(C)[c]ccc2Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.36
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL2320148 0.74 PLA2G7 (0.36) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL12326180 0.72 CA1 (0.50) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL17178230 0.70 CYP1A2 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL1459479 0.69 ACHE (0.40) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL130126 0.68 MCL1 (0.52) MEN1KMT2AMAPTCYP1A2RAB9A
SCHEMBL8064215 0.68 MAPT (0.37) MEN1KMT2AMAPTCYP3A4NPSR1
SCHEMBL30532385 0.68 MEN1 (0.43) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL11595939 0.68 HSP90AA1 (0.42) MEN1KMT2AMAPTCYP3A4NPSR1
SCHEMBL10621165 0.68 NOTUM (0.39) CYP3A4HSP90AA1HSP90AB1CRHR1
SCHEMBL3011523 0.68 MAOB (0.41) MAPTKDM4E

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
EP-1425280-B1 HETERO-BICYCLIC CRF ANTAGONISTS GLAXO GROUP LTD (GB) 2006-08-30 EP claimed