SCHEMBL9536141

SCHEMBL9536141

COc1ccc(N)c(N)c1Cc1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
GAA P10253 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDO1 P14902 1/20 0.38
EP300 Q09472 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PNP P00491 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
SCHEMBL1498698 0.76 PNP (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL6475571 0.74 IDO1 (0.46) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL29181814 0.71 IDO1 (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL15280424 0.70 CA2 (0.61) LMNAGAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28167008 0.70 PNP (0.42) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL21401837 0.69 CHRM2 (0.49) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL9538789 0.69 ALDH1A1 (0.46) GAAMEN1KMT2AALDH1A1IDO1
SCHEMBL9537893 0.69 ALDH1A1 (0.41) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL9537123 0.69 SMN1; SMN2 (0.46) IDO1EP300KAT8KDM4ESMN1; SMN2
SCHEMBL11010861 0.68 GAA (0.49) LMNAGAAMEN1KMT2AALDH1A1

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed