SCHEMBL9538127

SCHEMBL9538127

COc1ccc([N+](=O)[O-])c(NCc2ccco2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.60
HTR6 P50406 2/20 0.60
POLB P06746 2/20 0.60
ALDH1A1 P00352 6/20 0.57
GAA P10253 3/20 0.57
MIF P14174 1/20 0.56
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
WNK1 Q9H4A3 1/20 0.51
NPSR1 Q6W5P4 3/20 0.51
PKM P14618 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50

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 0.90 POLB (0.69) MAPTHTR6POLBALDH1A1GAA
SCHEMBL22456085 0.84 MAPT (0.64) MAPTHTR6POLBALDH1A1GAA
SCHEMBL22455977 0.81 MAPT (0.61) MAPTHTR6POLBALDH1A1GAA
SCHEMBL22455911 0.81 MAPT (0.60) MAPTHTR6POLBALDH1A1GAA
SCHEMBL6474847 0.80 HTR6 (0.58) MAPTHTR6POLBALDH1A1GAA
SCHEMBL4309629 0.79 MAPT (0.62) MAPTPOLBALDH1A1CRHBPCRHR2
SCHEMBL9698164 0.79 MAPT (0.63) MAPTHTR6POLBALDH1A1GAA
SCHEMBL22440865 0.78 CA12 (0.60) MAPTHTR6POLBALDH1A1GAA
SCHEMBL2013684 0.77 SMN1; SMN2 (0.60) MAPTHTR6ALDH1A1LMNASMN1; SMN2
SCHEMBL23144814 0.77 MAPT (0.60) MAPTPOLBALDH1A1GAACRHBP

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 4 patents. 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
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed