SCHEMBL8104015

SCHEMBL8104015

CC(C)(C)c1cc(C2C(=O)NC(=O)N2c2ccc(N)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.36
SIRT1 Q96EB6 1/20 0.34
F2R P25116 1/20 0.34
GAA P10253 2/20 0.33
QPCTL Q9NXS2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8094542 0.83 MEN1 (0.48) QPCTGAAMEN1ALDH1A1KMT2A
SCHEMBL4319085 0.73 ALDH1A1 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL4323340 0.65 PPARD (0.38) MEN1ALDH1A1KMT2A
SCHEMBL8094532 0.64 ENPP3 (0.36) F2RGAA
SCHEMBL7559685 0.64 GABBR2 (0.39) SIRT1GAAMEN1ALDH1A1KMT2A
SCHEMBL9524225 0.63 CA2 (0.68) MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9524369 0.62 CA2 (0.65) MEN1ALDH1A1KMT2A
SCHEMBL2802734 0.62 CA2 (0.64) GAAMEN1ALDH1A1KMT2A
SCHEMBL10449344 0.62 ALOX5 (0.55) SIRT1F2RGAAMEN1ALDH1A1
SCHEMBL4319308 0.61 ALDH1A1 (0.54) GAAALDH1A1KMT2A

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