SCHEMBL7401941

SCHEMBL7401941

Cc1ccc(S(=O)(=O)Nc2ccc(NN)c(C3CCCC3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 1/20 0.60
ATM Q13315 1/20 0.60
XBP1 P17861 1/20 0.52
HTT P42858 1/20 0.52
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTPRC P08575 1/20 0.47
ESR1 P03372 1/20 0.46
CYP19A1 P11511 1/20 0.46
BRD4 O60885 1/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
Oxalic Acid SCHEMBL7981248 0.94 LMNA (0.54) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7402235 0.85 ALDH1A1 (0.62) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL11680486 0.79 ALDH1A1 (0.64) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL27691980 0.77 PTGDR2 (0.42) ALDH1A1KMT2APOLB
SCHEMBL15705227 0.75 ALDH1A1 (1.00) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7402012 0.74 ALDH1A1 (0.52) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL7400836 0.72 PTPRC (0.48) LMNAALDH1A1MAPTSMN1; SMN2THRB
Bromide SCHEMBL7981260 0.71 PTPRC (0.47) LMNAALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL11498061 0.71 ALDH1A1 (0.68) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL2005010 0.70 CA12 (0.81) LMNAALDH1A1MAPTSMN1; SMN2TP53

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-1097921-A1 Phenylhydrazines SANOFI-SYNTHELABO (FR) 2001-05-09 EP disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed