SCHEMBL11732256

SCHEMBL11732256

Cn1c([N+](=O)[O-])cnc1C1=CSNN1N1CCN(c2nccs2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ GRM1 Q13255 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ SLC6A7 Q99884 1/20 0.30

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
SCHEMBL11723706 0.87 CYP2C19 (0.36) RXFP1CYP2C19
SCHEMBL11725800 0.82 CYP2C19 (0.36) RXFP1CYP2C19
SCHEMBL11842731 0.82 SMN1; SMN2 (0.40) NPC1RAB9AHTT
SCHEMBL11843203 0.81 CYP2C19 (0.35) RXFP1CYP2C19
SCHEMBL11732251 0.77 RXFP1 (0.34) RXFP1NPC1RAB9ACYP2C19HTT
SCHEMBL11777882 0.77 MAPT (0.40) NPC1RAB9ACYP2C19MEN1
SCHEMBL11850406 0.76 CYP2C19 (0.39) CYP2C19
SCHEMBL11740246 0.73 SMN1; SMN2 (0.32) CYP2C19
SCHEMBL11728528 0.71 LMNA (0.39) RXFP1CYP2C19
SCHEMBL11725247 0.71 LMNA (0.39) RXFP1CYP2C19

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