SCHEMBL11725563

SCHEMBL11725563

Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCCCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HRH3 Q9Y5N1 8/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PSMD14 O00487 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ RAB9A P51151 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
Megazol SCHEMBL11696315 0.77 MGAM (0.46) RXFP1ALDH1A1MAPK1PKMSMN1; SMN2
SCHEMBL11695276 0.76 ALDH1A1 (0.38) RXFP1ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL11696459 0.74 LMNA (0.37) RXFP1ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL11669426 0.71 PIM1 (0.57) ALDH1A1MAPK1SMN1; SMN2MAPTLMNA
SCHEMBL2484996 0.70 PTGS1 (0.39) ALDH1A1MAPK1SMN1; SMN2CYP2C19MAPT
SCHEMBL27613658 0.69 CYP2C19 (0.43) RXFP1ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL11725800 0.67 CYP2C19 (0.36) RXFP1ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL11725791 0.67 CYP2C19 (0.36) RXFP1ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL14739954 0.65 MEN1 (0.32) RXFP1ALDH1A1MAPK1CYP2C19MAPT
SCHEMBL11840357 0.65 CYP2C19 (0.38) RXFP1ALDH1A1MAPK1SMN1; SMN2CYP2C19

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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