SCHEMBL3717873

SCHEMBL3717873

COc1ccc(Cl)c(-c2cccc(Br)c2SC#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALOX15 P16050 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL3723167 0.75 HSP90AA1 (0.47) MEN1KMT2AALOX15HSP90AA1HSP90AB1
SCHEMBL3717610 0.75 HSP90AA1 (0.40) MEN1KMT2AALOX15HSP90AA1HSP90AB1
SCHEMBL20754270 0.74 CRHR1 (0.37) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL19785375 0.72 HSP90AA1 (0.56) MEN1KMT2AALOX15HSP90AA1HSP90AB1
SCHEMBL31449884 0.68 MEN1 (0.47) MEN1KMT2AALOX15HSP90AA1HSP90AB1
SCHEMBL10718587 0.68 NQO1 (0.38) MEN1KMT2AHTR2AHTR2CMAPT
SCHEMBL22949436 0.67 GPR3 (0.46) MEN1KMT2AALOX15HTR1ACCNE2
SCHEMBL322093 0.66 CA12 (0.46) MEN1KMT2AHSP90AA1HSP90AB1HTR2A
SCHEMBL30905970 0.66 CA12 (0.46) MEN1KMT2AHSP90AA1HSP90AB1HTR2A
SCHEMBL24042747 0.65 HTR7 (0.57) HTR1AHTR1DHTR1BHTR2AHTR2C

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-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed