SCHEMBL7968037

SCHEMBL7968037

COC(=O)C1=C(C)NC2=C(COC2=O)C1c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
HPGD P15428 5/20 0.51
ABCC1 P33527 1/20 0.48
KDM4E B2RXH2 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL7984491 0.88 ABCC1 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL8805027 0.84 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL7967817 0.82 KDM4E (0.64) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL8817305 0.82 BRD4 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL10895180 0.79 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL11005916 0.75 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL8340560 0.74 CACNA1F (0.69) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL10830288 0.71 KDM4E (0.79) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL29944536 0.71 KDM4E (0.79) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL8082470 0.70 ALOX15 (0.51) CACNA1CHPGDKDM4ENPSR1TSHR

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-6194428-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US disclosed