SCHEMBL4138684

SCHEMBL4138684

Cc1cccc2[nH]c(-c3cccc(S(=O)(=O)N(Cl)C4CCCCC4)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ TNKS O95271 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ DAO P14920 1/20 0.33
▸ DDO Q99489 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 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
SCHEMBL3997893 0.84 VCP (0.45) BRD4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5512691 0.78 ALDH1A1 (0.39) MCOLN3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5510992 0.73 ALDH1A1 (0.55) MCOLN3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2880986 0.69 BRD4 (0.57) TDP1BRD4MEN1ALDH1A1KMT2A
SCHEMBL5531315 0.68 ALDH1A1 (0.65) MCOLN3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5508919 0.67 KDM4E (0.52) MCOLN3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4890491 0.67 HPGD (0.56) KDM4EMEN1ALDH1A1KMT2AMAPT
Tert-Butyl Formate SCHEMBL27699524 0.66 ALDH1A1 (0.46) MCOLN3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5512259 0.65 ALDH1A1 (0.46) MCOLN3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL27964725 0.64 ACHE (0.54) MEN1ALDH1A1KMT2AMAPTHTT

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
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 — — EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 — — WO disclosed
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