SCHEMBL12017338

SCHEMBL12017338

CN(C)N=Nc1csc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
PAX8 Q06710 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP9 P14780 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL12017337 1.00 HPGD (0.46) HPGDHTTLMNATSHRPAX8
SCHEMBL1845703 0.81 MAPT (0.40) HPGDHTTLMNAKDM4EALDH1A1
SCHEMBL1845704 0.81 MAPT (0.40) HPGDHTTLMNAKDM4EALDH1A1
SCHEMBL28911367 0.67 PARP1 (0.49) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL279422 0.66
SCHEMBL24956336 0.66 HPGD (0.67) HPGDHTTKMT2AMEN1MAPT
SCHEMBL27977195 0.66 GAA (0.40) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL1844496 0.66 LMNA (0.38) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL1844495 0.66 LMNA (0.38) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL1844474 0.64 LMNA (0.40) HPGDLMNATSHRPAX8KDM4E

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
CN-102149703-B Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2014-09-10 CN claimed
US-8258119-B2 Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers Kasina Laila Innova Pharmaceuticals (IN) 2012-09-04 US claimed
CN-102149703-A Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2011-08-10 CN claimed
CN-102149703-B Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2014-09-10 CN disclosed
CN-102149703-A Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2011-08-10 CN disclosed