SCHEMBL8401055

SCHEMBL8401055

CCc1ccccc1N(C(=N)N)c1ccccc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
IDO1 P14902 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
TMPRSS6 Q8IU80 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31

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
SCHEMBL10404786 0.90 LMNA (0.40) LMNATAAR1IDO1GABRA1GABRB2
SCHEMBL9317579 0.79 SIGMAR1 (0.38) LMNASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL29285010 0.76 GABRA1 (0.39) LMNATAAR1IDO1GABRA1GABRB2
SCHEMBL8332943 0.76 SIGMAR1 (0.52) LMNASIGMAR1MAPTCYP2D6
SCHEMBL8334067 0.75 SIGMAR1 (0.37) LMNAGABRA1GABRB2SIGMAR1GRIN2D
SCHEMBL27984498 0.74 PNMT (0.39) LMNATAAR1IDO1GRIN2DGRIN3B
SCHEMBL1955058 0.74 LMNA (0.44) LMNAGABRA1GABRB2NPSR1SIGMAR1
SCHEMBL8399203 0.74 SIGMAR1 (0.49) LMNASIGMAR1MAPTCYP2D6
SCHEMBL8337461 0.74 RECQL (0.39) LMNATAAR1SIGMAR1ALDH1A1
SCHEMBL9729315 0.72 LMNA (0.38) LMNAGABRA1GABRB2NPSR1SIGMAR1

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 claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed