SCHEMBL4184764

SCHEMBL4184764

Cc1nc(C(N)=O)sc1C(=O)Nc1ccc(Br)cc1.Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 7/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CFTR P13569 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
ALOX5 P09917 1/20 0.44
HPGD P15428 2/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL3584155 0.82 RAB9A (0.60) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL3583248 0.81 RAB9A (0.61) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL3583065 0.79 MAPT (0.60) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL3588056 0.78 NPC1 (0.63) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL3585022 0.77 RAB9A (0.67) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL28475354 0.74 RAB9A (0.72) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL4915021 0.74 NPC1 (0.63) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3593667 0.73 SMN1; SMN2 (0.79) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL27903465 0.72 KMT2A (0.75) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL773337 0.72 LCK (0.72) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1

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-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP claimed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO claimed