SCHEMBL11037141

SCHEMBL11037141

COc1cccc(NCc2ccc(F)cc2)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KMT2A Q03164 3/20 0.45
CACNA1B Q00975 2/20 0.44
HDAC1 Q13547 1/20 0.44
EGFR P00533 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR35 Q9HC97 1/20 0.42
GAA P10253 2/20 0.42
ADORA2A P29274 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL27828181 0.81 NSD2 (0.46) KCNQ3KCNQ2KMT2ACACNA1BHDAC1
SCHEMBL31210057 0.80 MAPT (0.48) L3MBTL1KMT2AMAPTMEN1KDM4E
SCHEMBL10549460 0.77 MAPT (0.51) L3MBTL1KMT2AMAPTMEN1ALDH1A1
SCHEMBL20232562 0.77 ALDH1A1 (0.42) L3MBTL1EGFRMAPTKDM4EALDH1A1
SCHEMBL10055049 0.77 ALDH1A1 (0.55) L3MBTL1KMT2AHDAC1MAPTMEN1
SCHEMBL11036299 0.74 MAPT (0.53) L3MBTL1KCNQ3KCNQ2KMT2AEGFR
SCHEMBL9134263 0.74 HDAC1 (0.49) KMT2ACACNA1BHDAC1MAPTMEN1
SCHEMBL4430410 0.73 KCNQ2 (0.78) L3MBTL1KCNQ3KCNQ2KMT2AMAPT
SCHEMBL2476416 0.73 KDM4E (0.47) L3MBTL1EGFRMAPTKDM4EALDH1A1
SCHEMBL20837291 0.73 NCF1 (0.44) L3MBTL1KMT2AEGFRMAPTMEN1

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