SCHEMBL9869659

SCHEMBL9869659

CC1=C(C(=O)O)C(c2ccc(Cl)c([N+](=O)[O-])c2)N(C)C(=S)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 12/20 0.45
CACNA1D Q01668 12/20 0.45
CACNA1S Q13698 12/20 0.45
CACNA1C Q13936 12/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALOX12 P18054 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KMT2A Q03164 2/20 0.42
VCAM1 P19320 2/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38

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
SCHEMBL9871252 0.86 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9869833 0.85 CACNA1F (0.42) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9871899 0.80 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9870854 0.76 ALDH1A1 (0.43) CACNA1DLMNAMAPTALDH1A1KDM4E
SCHEMBL11784686 0.75 KMT2A (0.65) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9870211 0.74 ALDH1A1 (0.53) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL4056646 0.74 LMNA (0.53) LMNAMAPTALOX12ALDH1A1ADRA2A
SCHEMBL9475596 0.72 CACNA1C (0.68) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9871298 0.72 ATM (0.47) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL11784675 0.71 KMT2A (0.69) CACNA1FCACNA1DCACNA1SCACNA1CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071849-A Antiinflammatory, antianginal agent EGIS GYOGYSZERGYAR (HU) 1991-12-10 US disclosed