SCHEMBL8094542

SCHEMBL8094542

CC(C)(C)c1cc(C2C(=O)NC(=O)N2c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GALR3 O60755 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
QPCT Q16769 4/20 0.36
NR1H4 Q96RI1 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL4311131 0.76 KMT2A (0.67) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL6480240 0.70 LMNA (0.43) MEN1KMT2AL3MBTL1HTTSMN1; SMN2
SCHEMBL4859122 0.69 MEN1 (0.69) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL3236587 0.68 MEN1 (1.00) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL4322660 0.68 MEN1 (0.50) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL8104050 0.68 SMN1; SMN2 (0.44) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL7606881 0.67 MEN1 (0.43) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL8639978 0.67 MEN1 (0.65) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL8639981 0.67 MEN1 (0.65) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL3667952 0.66 PTGS2 (0.65) MEN1KMT2AL3MBTL1GALR3HTT

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