SCHEMBL11740246

SCHEMBL11740246

CN(C)CCCC1CCN(N2NSC=C2c2ncc([N+](=O)[O-])n2C)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL11850406 0.87 CYP2C19 (0.39) CYP2C19
SCHEMBL11725800 0.80 CYP2C19 (0.36) SMN1; SMN2CYP2C19
SCHEMBL11723706 0.80 CYP2C19 (0.36) SMN1; SMN2CYP2C19
SCHEMBL11843203 0.79 CYP2C19 (0.35) SMN1; SMN2CYP2C19
SCHEMBL11740243 0.78 SMN1; SMN2 (0.32) SMN1; SMN2CYP2C19
SCHEMBL11726596 0.75 LMNA (0.34) CYP2C19
SCHEMBL11777882 0.75 MAPT (0.40) SMN1; SMN2CYP2C19
SCHEMBL11725451 0.73 LMNA (0.35) SMN1; SMN2CYP2C19
SCHEMBL11732256 0.73 RXFP1 (0.34) CYP2C19
SCHEMBL11842731 0.72 SMN1; SMN2 (0.40) SMN1; SMN2

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
US-4065567-A Substituted nitroimidazolyl thiadiazoles and oxadiazoles as antibacterial agents and growth promoting compounds AMERICAN CYANAMID COMPANY (US) 1977-12-27 — — US disclosed
US-3991200-A Substituted nitroimidazolyl thiadiazoles and oxadiazoles as antibacterial agents and growth promoting compounds AMERICAN CYANAMID COMPANY (US) 1976-11-09 — — US disclosed
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