SCHEMBL14195584

SCHEMBL14195584

COc1ccc(Cn2c(SC)nnc2-c2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 7/20 0.50
▸ PDE5A O76074 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ OPRK1 P41145 2/20 0.45
▸ PDE6D O43924 1/20 0.45
▸ APOBEC3A P31941 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL14195569 0.82 CYP3A4 (0.56) TSHRCYP3A4KDM4EALDH1A1PDE5A
SCHEMBL7519882 0.79 TSHR (0.53) TSHRCYP3A4KDM4EALDH1A1PDE5A
SCHEMBL6266316 0.78 ALDH1A1 (0.63) TSHRCYP3A4ALDH1A1MAPTKMT2A
SCHEMBL14195568 0.78 TSHR (0.52) TSHRCYP3A4KDM4EALDH1A1PDE5A
SCHEMBL11919912 0.77 TNKS2 (0.58) TSHRCYP3A4ALDH1A1MAPTKMT2A
SCHEMBL14195583 0.77 KDM4E (0.52) TSHRCYP3A4KDM4EALDH1A1PDE5A
SCHEMBL13832027 0.76 NPSR1 (0.70) TSHRALDH1A1MAPTALOX15GAA
SCHEMBL6246323 0.76 SMN1; SMN2 (0.65) TSHRCYP3A4KDM4EALDH1A1KMT2A
SCHEMBL3904873 0.75 TSHR (0.67) TSHRCYP3A4KDM4EALDH1A1KMT2A
SCHEMBL7512001 0.72 QPCTL (0.58) TSHRCYP3A4KDM4EALDH1A1PDE5A

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-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 — — US disclosed
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