SCHEMBL13091100

SCHEMBL13091100

CC(=O)C(C)(C)c1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CASR P41180 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MEP1B Q16820 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.34

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
SCHEMBL14616569 0.84 CYP2C9 (0.40) TP53TDP1KMT2AMEN1CYP2C9
SCHEMBL13091115 0.79 SMN1; SMN2 (0.40) TP53TDP1KMT2AMEN1CASR
SCHEMBL16672493 0.77 SMN1; SMN2 (0.49) KMT2AMEN1KDM4ECYP2C9SMN1; SMN2
SCHEMBL18242406 0.76 TDP1 (0.42) TP53TDP1KMT2AMEN1CASR
SCHEMBL3640954 0.76 KMT2A (0.40) TP53TDP1KMT2AMEN1CASR
SCHEMBL18754039 0.75 GABRA1 (0.42) TDP1KMT2ACASRKDM4ESMN1; SMN2
SCHEMBL24766024 0.74 ACHE (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL12180439 0.74 TDP1 (0.46) TP53TDP1KMT2AMEN1CASR
SCHEMBL7610097 0.74 TDP1 (0.46) TP53TDP1KMT2AMEN1CASR
SCHEMBL18546040 0.74 CASR (0.53) TP53TDP1KMT2AMEN1CASR

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-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 — — WO disclosed
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