SCHEMBL9699545

SCHEMBL9699545

Cc1ccc(CNc2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPK1 P28482 3/20 0.52
KAT2B Q92831 2/20 0.48
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9540982 0.83 MAPT (0.52) MAPTL3MBTL1MAPK1KAT2BPKM
SCHEMBL9698164 0.77 MAPT (0.63) MAPTL3MBTL1MAPK1KAT2BPKM
SCHEMBL7164868 0.75 MAPT (0.84) MAPTL3MBTL1MAPK1KAT2BCYP1A2
SCHEMBL10360050 0.75 MAPT (0.73) MAPTL3MBTL1MAPK1KAT2BCYP1A2
SCHEMBL23178229 0.75 MAPT (0.68) MAPTL3MBTL1MAPK1KAT2BCYP1A2
SCHEMBL9538004 0.74 NPC1 (0.47) MAPTMAPK1PKMALDH1A1MEN1
SCHEMBL2906688 0.74 ALDH1A1 (0.52) MAPTL3MBTL1MAPK1CYP1A2PKM
SCHEMBL102602 0.73 MAPT (0.77) MAPTL3MBTL1MAPK1KAT2BCYP1A2
SCHEMBL16655113 0.73 KAT2B (0.57) MAPTL3MBTL1MAPK1KAT2BALDH1A1
SCHEMBL162875 0.73 KAT2B (0.60) MAPTL3MBTL1MAPK1KAT2BALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33833-E Intermediates for antihistamines, antiserotonine agents JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-25 US disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
US-4760074-A Novel-N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-26 US disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP disclosed