SCHEMBL10377239

SCHEMBL10377239

CCOC(=O)C1=C(C)Nc2nnnn2C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 14/20 0.66
CACNA1D Q01668 14/20 0.66
CACNA1S Q13698 14/20 0.66
CACNA1C Q13936 14/20 0.66
ADORA3 P0DMS8 1/20 0.62
LMNA P02545 3/20 0.61
TSHR P16473 2/20 0.61
ALDH1A1 P00352 1/20 0.59
HIF1A Q16665 3/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL10376198 0.85 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10376213 0.82 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10926263 0.81 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7436976 0.81 CACNA1F (0.86) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2995474 0.80 LMNA (0.61) LMNATSHRALDH1A1CYP1A2CYP3A4
SCHEMBL11019531 0.80 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3006595 0.79 LMNA (0.59) LMNATSHRALDH1A1CYP1A2CYP3A4
SCHEMBL11023232 0.79 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7441147 0.79 CACNA1F (0.87) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL4263385 0.79 ALDH1A1 (0.69) LMNATSHRALDH1A1CYP1A2CYP3A4

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
JP-60193990-A None JP disclosed
EP-0183848-B1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-09-12 EP disclosed
US-4918074-A CALCIUM ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
EP-0183848-A1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-11 EP disclosed
JP-S60193990-A NOVEL POLYAZA HETEROCYCLIC DERIVATIVE YOSHITOMI PHARMACEUT IND LTD 1985-10-02 JP disclosed