SCHEMBL2880884

SCHEMBL2880884

CC(C)(C)NC(=O)c1csc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.72
MAPT P10636 6/20 0.59
GAA P10253 3/20 0.59
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL13101601 0.85 AMY1A (0.58) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL2870272 0.82 KDM1A (0.78) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL28707161 0.82 KDM1A (0.78) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL29654005 0.82 KDM1A (0.78) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL20600296 0.81 KDM1A (0.61) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL2875618 0.78 NPC1 (0.70) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL20621341 0.78 KDM1A (0.57) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL28716317 0.77 KDM1A (0.70) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL29654089 0.77 KDM1A (0.70) KDM1AMAPTGAAMEN1KMT2A
SCHEMBL2879072 0.77 MAPT (0.47) KDM1AMAPTGAAMEN1KMT2A

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
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed