SCHEMBL7982258

SCHEMBL7982258

CCOC(=O)Cn1cnc(CC(C)C)c1-c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.41
F10 P00742 7/20 0.41
PLG P00747 5/20 0.41
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
RXFP1 Q9HBX9 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAOA P21397 2/20 0.33
MMP9 P14780 1/20 0.33
MAOB P27338 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL7421242 0.88 F2 (0.56) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7981150 0.87 F2 (0.56) F2F10PLGPRSS1PRSS2
SCHEMBL8026453 0.83 CNR2 (0.38) CNR2CNR1OPRM1BCHE
SCHEMBL7977875 0.73 CNR2 (0.46) F2F10PLGCNR2CNR1
SCHEMBL7427026 0.71 F2 (0.43) F2F10PLGKDM4EALDH1A1
SCHEMBL7968222 0.71 ALDH1A1 (0.38) F2F10PLGKDM4EALDH1A1
SCHEMBL8029667 0.70 ITK (0.43) F2F10PLGKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8029674 0.70 F2 (0.45) F2F10PLGCNR2BCHE
SCHEMBL7968268 0.70 F2 (0.45) F2F10PLGKDM4EALDH1A1
SCHEMBL7985234 0.69 F2 (0.69) F2F10PLGPRSS1PRSS2

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed