SCHEMBL9230339

SCHEMBL9230339

CC(C)(C)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MPO P05164 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ CYP2C19 P33261 2/20 0.57
▸ PKM P14618 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ PRMT1 Q99873 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA9 Q16790 4/20 0.44

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
SCHEMBL13884294 0.90 ALDH1A1 (0.55) HTR6CYP3A4LMNAMPOCYP2C9
SCHEMBL2341420 0.84 MAPT (0.42) CYP3A4LMNACYP2C9TSHRCYP2C19
SCHEMBL9228703 0.83 HTR6 (0.54) HTR6CYP3A4LMNATSHRCYP2C19
SCHEMBL9230987 0.83 GAA (0.61) CYP3A4CYP2C9CYP2C19PKMALDH1A1
SCHEMBL9228688 0.82 ALDH1A1 (0.65) LMNACYP2C19PKMALDH1A1MAPT
SCHEMBL12204986 0.82 CYP2C19 (0.50) HTR6CYP3A4LMNAMPOCYP2C9
Hydrochloric Acid SCHEMBL9231987 0.81 HTR6 (0.52) HTR6CYP3A4LMNATSHRCYP2C19
SCHEMBL9229082 0.81 MAPT (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9232433 0.79 PKM (0.66) LMNAPKMALDH1A1MAPTGAA
SCHEMBL9806707 0.79 HTR6 (0.67) HTR6CYP3A4LMNAMPOCYP2C9

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-2010128661-A1 TRIAZINE RING-CONTAINING POLYMER AND FILM-FORMING COMPOSITION COMPRISING SAME 日産化学工業株式会社 (JP) 2010-11-11 — — WO disclosed
EP-0666253-A1 N-t-BUTYLANILINE ANALOG AND LIPID LEVEL DEPRESSANT CONTAINING THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-08-09 — — EP disclosed
Send feedback