SCHEMBL9020867

SCHEMBL9020867

CC(C)(NCC(O)Cc1nc(CCNC(=O)c2ccccc2)c[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ESRRG P62508 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.37
FABP2 P12104 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SNCA P37840 3/20 0.36
PRMT5 O14744 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9021148 0.85 TP53 (0.45) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL7877299 0.78 TP53 (0.40) TP53NPC1RAB9AESRRGMAPT
SCHEMBL9021042 0.69 TAAR1 (0.41) MEN1KMT2A
SCHEMBL7875247 0.69 ESRRG (0.42) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL9021085 0.69 TP53 (0.44) TP53MAPTALDH1A1GAA
SCHEMBL9020794 0.68 NR1H2 (0.34) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL9020699 0.67 CNR1 (0.37) GAA
SCHEMBL9021078 0.66 PRCP (0.39) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL9062813 0.65 KMT2A (0.53) MEN1KMT2AGAA
SCHEMBL9062823 0.65 KMT2A (0.53) MEN1KMT2AGAA

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
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed