SCHEMBL9490979

SCHEMBL9490979

[CH2]n1c([N+](=O)[O-])cnc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
THRB P10828 2/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.50
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM1 P11229 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CA12 O43570 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
Dimetridazole SCHEMBL63278 0.78 LMNA (0.59) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL10487046 0.76 MAPK1 (0.58) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL27704271 0.76 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL19402556 0.76 LMNA (0.53) ALDH1A1LMNAMAPK1THRBTSHR
Dimetridazole SCHEMBL10455000 0.76 LMNA (0.57) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL4470811 0.76 LMNA (0.66) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL28927348 0.76 LMNA (0.76) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL7810659 0.74 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL13433889 0.73 MAPK1 (0.55) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL7949201 0.73 LMNA (0.68) ALDH1A1LMNAMAPK1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP claimed
EP-0390693-A1 Thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-10-03 EP claimed
US-5246950-A Smooth muscle disorders RHONE-POULENC SANTE (FR) 1993-09-21 US disclosed
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP disclosed
EP-0390693-A1 Thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-10-03 EP disclosed