SCHEMBL11726166

SCHEMBL11726166

CCCn1c([N+](=O)[O-])cnc1C1=CNN(N)S1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 4/20 0.39
▸ GLA P06280 1/20 0.39
▸ ATM Q13315 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL11726184 0.90 LMNA (0.40) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11724686 0.88 LMNA (0.53) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11724706 0.84 GLA (0.51) ALDH1A1CA1CA2CA9CA12
SCHEMBL11725235 0.84 LMNA (0.39) LMNAMAPK1ALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL11725202 0.83 LMNA (0.38) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11726022 0.81 ALDH1A1 (0.44) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11728988 0.77 LMNA (0.39) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11726175 0.74 LMNA (0.41) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11727803 0.72 ALDH1A1 (0.44) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL681530 0.72 LMNA (0.73) LMNAMAPK1ALDH1A1THRBTSHR

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
Send feedback