SCHEMBL13091040

SCHEMBL13091040

CCCc1ccc(C)cc1N(C)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRKCI P41743 1/20 0.33
MLYCD O95822 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPBWR1 P48145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 1/20 0.33
SRC P12931 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 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
SCHEMBL20264395 0.79 POLB (0.45) MEN1KMT2AMLYCD
SCHEMBL29940563 0.79 POLB (0.45) MEN1KMT2AMLYCD
Hydrogen Peroxide SCHEMBL11334349 0.69 LDHA (0.42) LDHALDHBMEN1KMT2APRKCI
SCHEMBL20277899 0.69 POLB (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL10822849 0.68 TAAR1 (0.43) LDHALDHBMEN1KMT2APRKCI
SCHEMBL14868950 0.68 MLYCD (0.57) MEN1KMT2AMLYCDALDH1A1SMN1; SMN2
SCHEMBL13344300 0.67 PRKCI (0.46) LDHALDHBMEN1KMT2APRKCI
SCHEMBL22066832 0.67 SRC (0.57) LDHALDHBMEN1KMT2AALDH1A1
SCHEMBL9629541 0.67 TAAR1 (0.42) LDHALDHBMEN1KMT2APRKCI
SCHEMBL24260363 0.67 MLYCD (0.33) MLYCDALDH1A1

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