SCHEMBL11035894

SCHEMBL11035894

COc1ccc(NCc2ccco2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HPGD P15428 6/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 8/20 0.47
MAPT P10636 6/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EGFR P00533 1/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL9535419 0.78 POLB (0.69) LMNAALDH1A1MAPTKMT2ANPC1
SCHEMBL22836929 0.76 KDM4E (0.57) HPGDNPSR1ALDH1A1MAPTNPC1
SCHEMBL31744573 0.76 EGFR (0.64) LMNAHPGDNPSR1ALDH1A1MAPT
SCHEMBL9536836 0.76 KCNH3 (0.47) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL9538127 0.76 MAPT (0.60) LMNANPSR1ALDH1A1MAPTKMT2A
SCHEMBL18415589 0.75 ALDH1A1 (0.64) LMNAHPGDNPSR1ALDH1A1MAPT
SCHEMBL8348984 0.74 ALDH1A1 (0.51) HPGDALDH1A1MAPTKMT2ANPC1
SCHEMBL22852376 0.73 MAPK1 (0.46) LMNAHPGDNPSR1ALDH1A1MAPT
SCHEMBL31620264 0.73 LMNA (0.54) LMNAHPGDNPSR1ALDH1A1MAPT
SCHEMBL31620257 0.73 LMNA (0.54) LMNAHPGDNPSR1ALDH1A1MAPT

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-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed