SCHEMBL8399385

SCHEMBL8399385

CNC(=Nc1cccc2cc3ccccc3cc12)N(C)c1cccc2cc3ccccc3cc12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.61
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL4982326 0.81 SIGMAR1 (0.90) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL13138486 0.74 SIGMAR1 (0.56) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL8399382 0.73 KMT2A (0.48) SIGMAR1CYP2D6
SCHEMBL4981507 0.71 SIGMAR1 (0.73) SIGMAR1
SCHEMBL8742588 0.69 SIGMAR1 (0.59) SIGMAR1
SCHEMBL27844570 0.69 SIGMAR1 (0.56) SIGMAR1CYP2D6
SCHEMBL8152318 0.69 MCL1 (0.58) SIGMAR1TP53TSHR
SCHEMBL16887967 0.69 SIGMAR1 (0.71) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL4982322 0.67 ALDH1A1 (0.50) SIGMAR1
SCHEMBL28782554 0.67 SIGMAR1 (0.53) SIGMAR1

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