SCHEMBL7921060

SCHEMBL7921060

Bc1c(OC)ccc2c(O)cc(-c3csc(NC(=O)C(C)C)n3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MRE11 P49959 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL7926883 0.89 ALDH1A1 (0.46) TYRALDH1A1KDM4EHPGDMEN1
SCHEMBL10266220 0.88 TYR (0.51) TYRALDH1A1KDM4EHPGDMEN1
SCHEMBL14392811 0.86 TYR (0.47) TYRALDH1A1KDM4EMEN1KMT2A
SCHEMBL14392961 0.80 KMT2A (0.43) TYRALDH1A1KDM4EMEN1KMT2A
SCHEMBL10266218 0.80 ALDH1A1 (0.48) TYRALDH1A1KDM4EHPGDMEN1
SCHEMBL9890981 0.79 TYR (0.54) TYRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL22110048 0.78 ALDH1A1 (0.47) TYRALDH1A1KDM4EHPGDMEN1
SCHEMBL3478854 0.78 ALDH1A1 (0.47) TYRALDH1A1KDM4EHPGDMEN1
SCHEMBL9892684 0.78 ALDH1A1 (0.46) TYRALDH1A1KDM4EHPGDMEN1
SCHEMBL11947493 0.78 CTSB (0.46) TYRALDH1A1KDM4EHPGDMEN1

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
WO-2010033444-A1 CRYSTALLINE FORMS OF A 2-THIAZOLYL- 4-QUINOLINYL-OXY DERIVATIVE, A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 WO disclosed