SCHEMBL8104050

SCHEMBL8104050

CC(C)(C)c1cc(C2CNC(=O)N2C(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GALR3 O60755 1/20 0.44
HTT P42858 1/20 0.44
NR1H4 Q96RI1 1/20 0.40
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 5/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL8094532 0.85 ENPP3 (0.36) NR1H4
SCHEMBL11529933 0.70 L3MBTL1 (0.63) SMN1; SMN2L3MBTL1KMT2AMEN1GALR3
SCHEMBL4325207 0.70 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1KMT2AMEN1GALR3
SCHEMBL8094542 0.68 MEN1 (0.48) SMN1; SMN2L3MBTL1KMT2AMEN1GALR3
SCHEMBL4328375 0.67 KMT2A (0.41) SMN1; SMN2L3MBTL1KMT2AMEN1GALR3
SCHEMBL4310719 0.66 CRHBP (0.60) SMN1; SMN2L3MBTL1KMT2AHTTALDH1A1
SCHEMBL4311131 0.66 KMT2A (0.67) SMN1; SMN2L3MBTL1KMT2AMEN1GALR3
SCHEMBL4859122 0.66 MEN1 (0.69) SMN1; SMN2L3MBTL1KMT2AMEN1GALR3
SCHEMBL4985798 0.65 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1KMT2AMEN1GALR3
SCHEMBL3236587 0.65 MEN1 (1.00) SMN1; SMN2L3MBTL1KMT2AMEN1GALR3

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-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 EP disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 WO disclosed