SCHEMBL4889521

SCHEMBL4889521

Cc1ccccc1-n1c(=O)cnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 9/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 8/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.41
KLK7 P49862 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9214354 0.81 ALDH1A1 (0.48) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL30139979 0.77 ALDH1A1 (0.55) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL4889518 0.77 ALDH1A1 (0.55) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL10944497 0.76 ALDH1A1 (0.53) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL30050771 0.76 ALDH1A1 (0.53) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL27150961 0.75 ALDH1A1 (0.47) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL15605424 0.73 TSHR (1.00) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL29580418 0.72 KDM4E (0.51) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL6390410 0.72 KDM4E (0.51) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL23709224 0.71 HTR7 (0.55) TSHRALDH1A1LMNAL3MBTL1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed