SCHEMBL11291159

SCHEMBL11291159

Cc1cccc(C)c1N(CC(=O)O)C(=O)CSC(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
RORC P51449 1/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
ADAM17 P78536 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL11289843 0.91 MAPT (0.38) CTNNB1WNT3ARORCMAPTKMT2A
SCHEMBL11271249 0.87 RORC (0.41) CTNNB1WNT3ARORCMAPTKMT2A
SCHEMBL11299781 0.87 KMT2A (0.35) CTNNB1WNT3ARORCMAPTKMT2A
SCHEMBL11292381 0.87 RORC (0.39) CTNNB1WNT3ARORCMAPTKMT2A
SCHEMBL11287633 0.81 KMT2A (0.52) MAPTKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL11278524 0.79 MAPT (0.36) CTNNB1WNT3ARORCMAPTKMT2A
SCHEMBL11290774 0.77 ALDH1A1 (0.36) KMT2AALDH1A1HTTCYP3A4MEN1
SCHEMBL11298078 0.77 ALDH1A1 (0.39) MAPTALDH1A1CYP3A4LMNAOPRM1
SCHEMBL11289135 0.76 OPRM1 (0.39) MAPTKMT2AATMALDH1A1HPGD
SCHEMBL11294511 0.76 ALDH1A1 (0.33) MAPTKMT2AALDH1A1HPGDSMN1; SMN2

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