SCHEMBL11567751

SCHEMBL11567751

CCOC(=O)c1cnc2onc(C)c2c1NNC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC26A6 Q9BXS9 14/20 0.42
TP53 P04637 1/20 0.40
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL6293949 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDCASP1GAA
SCHEMBL11820968 0.80 PDE5A (0.53) KDM4EALDH1A1HPGDSMN1; SMN2SLC26A6
SCHEMBL11818968 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDCASP1GAA
SCHEMBL11819884 0.77 KDM4E (0.48) KDM4EALDH1A1HPGDCASP1GAA
SCHEMBL5961528 0.77 KMT2A (0.55) KDM4EALDH1A1HPGDCASP1GAA
SCHEMBL18320719 0.66 KDM4E (0.62) KDM4EALDH1A1HPGDCASP1GAA
SCHEMBL20875396 0.66 ALDH1A1 (0.63) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL18320759 0.65 KDM4E (0.61) KDM4EALDH1A1HPGDCASP1GAA
SCHEMBL11585740 0.64 MAPT (0.48) HPGDSLC26A6TP53
SCHEMBL5961479 0.64 HPGD (0.52) KDM4EALDH1A1HPGDCASP1GAA

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
US-4161525-A Process of treating proliferative skin diseases with indole derivatives THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1979-07-17 US disclosed
US-4144332-A USING AN ANILINO-NICOTINIC ACID THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1979-03-13 US disclosed
US-4141976-A XANTHINES OR THIOXANTHINES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1979-02-27 US disclosed
US-4107306-A OXO-BENZOTHIOPHENES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1978-08-15 US disclosed
US-4034087-A TREATING PROLIFERATIVE SKIN DISEASES WITH 4-BENZYL-2-IMIDAZOLIDONES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1977-07-05 US disclosed