SCHEMBL7081741

SCHEMBL7081741

CC(C)(C(=N)N)C(=N)N.N=C(N)CC(=N)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
EPHX2 P34913 5/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CACNA1H O95180 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3077772 0.88 SIGMAR1 (0.47) SIGMAR1EPHX2EPHX1KMT2ASMN1; SMN2
SCHEMBL1237952 0.69 EPHX2 (0.54) SIGMAR1EPHX2EPHX1
SCHEMBL3079393 0.65 EPHX2 (0.58) SIGMAR1EPHX2EPHX1
SCHEMBL3056476 0.64 SIGMAR1 (0.47) SIGMAR1EPHX2EPHX1
Hydrochloric Acid SCHEMBL6158167 0.63 EPHX2 (0.56) SIGMAR1EPHX2EPHX1
SCHEMBL28506963 0.62 SIGMAR1 (0.46) SIGMAR1EPHX2EPHX1
SCHEMBL12070486 0.62 EPHX2 (0.53) EPHX2EPHX1KMT2ASMN1; SMN2CACNA1H
SCHEMBL3069081 0.62 EPHX2 (0.54) SIGMAR1EPHX2EPHX1
SCHEMBL1149916 0.62 EPHX2 (0.67) SIGMAR1EPHX2EPHX1KMT2ASMN1; SMN2
SCHEMBL1605416 0.62 EPHX2 (0.67) SIGMAR1EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed