SCHEMBL8401674

SCHEMBL8401674

CCNC(=N)N(CC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
MAPT P10636 6/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX12 P18054 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40

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
SCHEMBL6727813 0.80 ALOX5 (0.50) ALDH1A1MAPTTRPM8MEN1KMT2A
SCHEMBL4707186 0.79 TRPM8 (0.60) ALDH1A1MAPTTRPM8MEN1KMT2A
SCHEMBL9095961 0.77 SIGMAR1 (0.59) ALDH1A1MAPTTRPM8MEN1KMT2A
SCHEMBL8400925 0.75 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6721242 0.74 SIGMAR1 (0.54) ALDH1A1MAPTTRPM8MEN1KMT2A
SCHEMBL5813680 0.74 ALDH1A1 (0.58) ALDH1A1MAPTTRPM8MEN1KMT2A
SCHEMBL18545425 0.73 TRPM8 (0.50) ALDH1A1MAPTTRPM8MEN1KMT2A
SCHEMBL10651901 0.72 ALDH1A1 (0.57) ALDH1A1MAPTTRPM8MEN1KMT2A
SCHEMBL4014610 0.70 ALDH1A1 (0.47) ALDH1A1MAPTTRPM8MEN1KMT2A
SCHEMBL1468921 0.70 CYP1A2 (0.56) ALDH1A1MAPTTRPM8MEN1KMT2A

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-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed