SCHEMBL13715912

SCHEMBL13715912

COC(=O)c1sc(-c2ccccc2)cc1NCc1cccc(-c2cc3ccccc3o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ KDM4E B2RXH2 7/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 3/20 0.48
▸ HTT P42858 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 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
SCHEMBL13270878 0.90 PTPN1 (0.46) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL23451959 0.77 KDM4E (0.57) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL612007 0.76 MAPT (0.56) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL14947250 0.74 POLB (0.58) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL23452163 0.74 KDM4E (0.54) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL12464636 0.73 MAPT (0.37) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL12357238 0.72 KDM4E (0.49) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2879066 0.72 KDM4E (0.60) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL12357351 0.71 PTPN1 (0.61) MAPTPOLBMEN1KMT2ACRHBP
SCHEMBL2157496 0.71 MAPT (0.76) MAPTKDM4EALDH1A1LMNAHPGD

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP disclosed
Send feedback