SCHEMBL14900317

SCHEMBL14900317

NCCNc1ccc([N+](=O)[O-])c(N2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.62
ALDH1A1 P00352 12/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTR6 P50406 1/20 0.51
MAPK1 P28482 3/20 0.50
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL12260314 0.88 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL7899989 0.87 HTR6 (0.55) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL7899993 0.84 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL20598588 0.81 MAPT (0.60) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL3536101 0.79 ALDH1A1 (0.64) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL7811948 0.78 ALDH1A1 (0.67) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL7809590 0.76 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL8444725 0.76 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL3538126 0.76 ALDH1A1 (0.68) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL22094803 0.76 ALDH1A1 (0.68) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594318-A1 Methods of facilitating cell survival using neurotrophin mimetics UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-05-22 EP disclosed
EP-2586445-A1 Methods of facilitating cell survival using neurotrophin mimetics UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-05-01 EP disclosed