SCHEMBL11822342

SCHEMBL11822342

Cn1c([N+](=O)[O-])cnc1-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
THRB P10828 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.39
CA12 O43570 4/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.37
CHRM1 P11229 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL11822145 0.80 LMNA (0.43) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7181457 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7182832 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7182723 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7173377 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7176669 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7175587 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7174259 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Dimetridazole SCHEMBL63278 0.76 LMNA (0.59) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11716245 0.76 LMNA (0.41) LMNAALDH1A1MAPK1THRBTSHR

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-3966732-A TRICHOMONICIDAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
US-3966732-A TRICHOMONICIDAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed