SCHEMBL8252775

SCHEMBL8252775

Nc1ccc(C2NC(=O)NC2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.51
CYP19A1 P11511 5/20 0.50
GAA P10253 1/20 0.48
DDB1 Q16531 3/20 0.47
CRBN Q96SW2 3/20 0.47
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
GSK3B P49841 2/20 0.38
BACE1 P56817 1/20 0.38
USP2 O75604 1/20 0.37
MAPK10 P53779 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL13527924 0.89 TDP1 (0.80) TDP1ALDH1A1MAPTLMNAGAA
SCHEMBL31016082 0.83 CYP19A1 (0.52) TDP1ALDH1A1MAPTLMNACYP19A1
SCHEMBL7167731 0.82 TDP1 (0.69) TDP1ALDH1A1MAPTLMNAGAA
SCHEMBL1014744 0.80 TDP1 (0.67) TDP1ALDH1A1MAPTLMNAGAA
SCHEMBL11653963 0.80 TDP1 (0.67) TDP1ALDH1A1MAPTLMNAGAA
SCHEMBL8270572 0.80 TDP1 (1.00) TDP1ALDH1A1MAPTLMNAGAA
SCHEMBL9690927 0.80 TDP1 (0.67) TDP1ALDH1A1MAPTLMNAGAA
SCHEMBL1421341 0.80 TDP1 (1.00) TDP1ALDH1A1MAPTLMNAGAA
SCHEMBL9000125 0.80 TDP1 (0.67) TDP1ALDH1A1MAPTLMNAGAA
SCHEMBL28470699 0.80 TDP1 (0.67) TDP1ALDH1A1MAPTLMNAGAA

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-3995021-A DIAZOTIZATION OF AN AMINO PHENYL SUBSTITUTED HAPTEN BIOLOGICAL DEVELOPMENTS, INC. (US) 1976-11-30 US claimed
CN-103044336-B Acylthiourea compound, preparation method and application thereof UNIV CHINA AGRICULTURAL 2014-11-19 CN disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
EP-0090240-A2 7-Alpha-aminoacyl-3-chlorocephalosporins, their preparation and their use as pharmaceutical products BAYER AG (DE) 1983-10-05 EP disclosed
EP-0011092-A1 Alpha-aminophenylacetic acid derivatives for use in the treatment of inflammations and novel alpha-aminophenylacetic acid derivatives BAYER AG (DE) 1980-05-28 EP disclosed