SCHEMBL11297292

SCHEMBL11297292

Cc1ccc(Cl)c(C)c1N(CC(=O)O)C(=O)CSC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL11292076 0.90
SCHEMBL11283192 0.87 RAB9A (0.39) ALDH1A1MAPTMEN1ALOX15MAPK1
SCHEMBL11290459 0.86 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1MAPTMEN1ALOX15
SCHEMBL11294524 0.86 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL11296877 0.86
SCHEMBL11349473 0.85 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL11299749 0.84 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPTMEN1ALOX15
SCHEMBL11294511 0.84 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11289099 0.82 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL11314993 0.82 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MAPTMEN1ALOX15

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-0014167-B1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1982-06-30 EP disclosed
EP-0014167-A1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1980-08-06 EP disclosed