SCHEMBL11299781

SCHEMBL11299781

Cc1ccc(Br)c(C)c1N(CC(=O)O)C(=O)CSC(=O)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.35
MAPT P10636 3/20 0.35
ADAM17 P78536 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
MEN1 O00255 5/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 2/20 0.33
SLC6A9 P48067 1/20 0.33
RORC P51449 1/20 0.33
POLB P06746 2/20 0.33
DAO P14920 1/20 0.31

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) KMT2AMAPTADAM17ATMALDH1A1
SCHEMBL11279654 0.89 KMT2A (0.36) KMT2AMAPTADAM17ATMALDH1A1
SCHEMBL11292381 0.88 RORC (0.39) KMT2AMAPTADAM17ATMALDH1A1
SCHEMBL11291159 0.87 CTNNB1 (0.40) KMT2AMAPTADAM17ATMALDH1A1
SCHEMBL11292441 0.84 KMT2A (0.46) KMT2AMAPTALDH1A1L3MBTL1HPGD
SCHEMBL11494781 0.82 RORC (0.40) KMT2AMAPTADAM17ATMALDH1A1
SCHEMBL11297070 0.81
SCHEMBL11278524 0.80 MAPT (0.36) KMT2AMAPTADAM17ATMALDH1A1
SCHEMBL11337851 0.79 PTPN1 (0.33) KMT2AMAPTATMALDH1A1L3MBTL1
SCHEMBL11290056 0.79 MLYCD (0.30)

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