SCHEMBL7010635

SCHEMBL7010635

Cc1ccc(C(=O)Nc2ccccc2C#N)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.57
LMNA P02545 2/20 0.55
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
F2 P00734 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL23200368 0.85 KCNMA1 (0.58) KCNMA1LMNAALDH1A1GAAKMT2A
SCHEMBL2969209 0.78 MEN1 (0.59) KCNMA1LMNAALDH1A1HPGDKDM4E
SCHEMBL8445659 0.77 LMNA (0.71) LMNAALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL3533243 0.76 MAPT (0.58) LMNAALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL7130616 0.74 RORC (0.70) LMNAALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL12721616 0.74 TDP1 (0.57) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL4844596 0.74 HTT (0.51) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL12230498 0.74 LMNA (0.64) KCNMA1LMNAALDH1A1HPGDKDM4E
SCHEMBL24460184 0.73 KCNMA1 (0.73) KCNMA1LMNAALDH1A1GAAKMT2A
SCHEMBL18585487 0.72 RAB9A (0.69) KCNMA1ALDH1A1HPGDKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed