SCHEMBL9372170

SCHEMBL9372170

Cc1c[nH]c(CCCN2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5100045 0.79 MAPT (0.47) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL8992699 0.77 PKM (0.49) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL8992759 0.77 PKM (0.51) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL12202119 0.72 ALDH1A1 (0.68) MAPTTDP1CYP2C19
SCHEMBL9052259 0.72 PKM (0.52) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL7743461 0.71 MAPT (0.58) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL10632392 0.71 TDP1 (0.54) MAPTTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6790333 0.71 TDP1 (0.71) MAPTTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL4351612 0.71 TDP1 (0.66) MAPTTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL22922753 0.70 TSHR (0.48) MAPTTDP1MEN1KMT2ALMNA

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-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed