SCHEMBL12987490

SCHEMBL12987490

CCOC(=O)C1NC(=O)CCC1CNCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CD274 Q9NZQ7 5/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
HTR2C P28335 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPID Q08752 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7388207 0.78 MEN1 (0.46) MEN1KMT2APKMNPSR1CYP1A2
SCHEMBL7388199 0.78 MEN1 (0.46) MEN1KMT2APKMNPSR1CYP1A2
SCHEMBL7388203 0.78 MEN1 (0.46) MEN1KMT2APKMNPSR1CYP1A2
SCHEMBL8155057 0.78 MEN1 (0.46) MEN1KMT2APKMNPSR1CYP1A2
SCHEMBL8155039 0.78 MEN1 (0.46) MEN1KMT2APKMNPSR1CYP1A2
SCHEMBL12987744 0.75 LMNA (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10372905 0.68 MEN1 (0.62) MEN1KMT2ASMN1; SMN2CYP2D6CYP2C19
SCHEMBL7453285 0.68 CREBBP (0.46) MEN1KMT2ATP53HTR2CALDH1A1
SCHEMBL7506825 0.68 CREBBP (0.46) MEN1KMT2ATP53HTR2CALDH1A1
SCHEMBL7453292 0.68 CREBBP (0.46) MEN1KMT2ATP53HTR2CALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 WO disclosed