SCHEMBL3265094

SCHEMBL3265094

CC(C)C(C)(NC(=O)c1nc(-c2ccc(N)cc2)no1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.41
HDAC4 P56524 3/20 0.40
SMPD1 P17405 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACACB O00763 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
SCHEMBL3265779 0.84 KDM4E (0.46) KDM4EGAALMNAMAPTTP53
SCHEMBL3265449 0.83 KDM4E (0.44) KDM4EGAASCN10ASMN1; SMN2LMNA
SCHEMBL3266083 0.76 CSGALNACT1 (0.51) KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL2297789 0.73 KDM4E (0.47) KDM4EGAASCN10AHDAC4SMPD1
SCHEMBL3265091 0.73 KDM4E (0.47) KDM4EGAASCN10AHDAC4SMPD1
SCHEMBL5314933 0.66 HTT (0.50) KDM4ESMN1; SMN2LMNAMAPTTP53
SCHEMBL2563085 0.66 GAA (0.68) KDM4EGAASMPD1LMNAMAPT
SCHEMBL493052 0.65 KDM4E (0.73) KDM4EGAAHDAC4SMN1; SMN2LMNA
SCHEMBL493495 0.65 KDM4E (0.70) KDM4EGAASMN1; SMN2LMNAMAPT
SCHEMBL25003157 0.64 GAA (0.69) KDM4EGAASMPD1SMN1; SMN2LMNA

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
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO disclosed