SCHEMBL9438424

SCHEMBL9438424

CCc1cccc(N(C(=NC(C)C)Nc2ccccc2C(C)C)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.46
GAA P10253 2/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PARP1 P09874 1/20 0.35
NLRP3 Q96P20 1/20 0.35
CA12 O43570 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
SCHEMBL9438469 0.87 SIGMAR1 (0.42) SIGMAR1GAAALDH1A1MAPTMEN1
SCHEMBL7619847 0.85 SIGMAR1 (0.43) SIGMAR1GAAMAPTSMN1; SMN2GRIN2D
SCHEMBL6719320 0.83 SIGMAR1 (0.46) SIGMAR1GAAALOX12NPSR1ALDH1A1
SCHEMBL8334409 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8329446 0.80 LMNA (0.41) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7616900 0.79 THRB (0.41) SIGMAR1GAAALOX12ALDH1A1MAPT
SCHEMBL9438422 0.76 SIGMAR1 (0.59) SIGMAR1MAPTMEN1KMT2AGRIN2D
SCHEMBL6728149 0.74 SIGMAR1 (0.55) SIGMAR1GAAALOX12NPSR1MAPT
SCHEMBL6716621 0.74 SIGMAR1 (0.46) SIGMAR1GAAALOX12NPSR1ALDH1A1
SCHEMBL6719325 0.71 SIGMAR1 (0.77) SIGMAR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517852-A4 1994-03-02 EP disclosed
EP-0517852-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1992-12-16 EP disclosed
WO-1991012797-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALF SCIENCES UNIVERSITY (US) 1991-09-05 WO disclosed