SCHEMBL3717610

SCHEMBL3717610

COc1ccc(Cl)c(-c2cccc(Br)c2S)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ PDE2A O00408 4/20 0.38
▸ PDE10A Q9Y233 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ HTR1A P08908 4/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ HTR2B P41595 4/20 0.35
▸ HTR7 P34969 3/20 0.35
▸ HTR5A P47898 3/20 0.35
▸ HTR6 P50406 3/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ SCN10A Q9Y5Y9 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
SCHEMBL3723167 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1PDE2APDE10AMEN1
SCHEMBL19785375 0.78 HSP90AA1 (0.56) HSP90AA1HSP90AB1PDE2APDE10AMEN1
SCHEMBL31345281 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1PDE2APDE10AMEN1
SCHEMBL3717873 0.75 MEN1 (0.36) HSP90AA1HSP90AB1PDE2APDE10AMEN1
SCHEMBL31449884 0.74 MEN1 (0.47) HSP90AA1HSP90AB1PDE2APDE10AMEN1
SCHEMBL22949436 0.72 GPR3 (0.46) PDE2APDE10AMEN1ALOX15KMT2A
SCHEMBL30905970 0.72 CA12 (0.46) HSP90AA1HSP90AB1MEN1KMT2ACYP1A2
SCHEMBL322093 0.72 CA12 (0.46) HSP90AA1HSP90AB1MEN1KMT2ACYP1A2
SCHEMBL24042747 0.71 HTR7 (0.57) HTR1AHTR2CHTR2BHTR7HTR5A
SCHEMBL321710 0.71 NPC1 (0.50) HSP90AA1HSP90AB1PDE2APDE10AMEN1

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