SCHEMBL290128

SCHEMBL290128

CCOC(=O)c1sc(-c2ccc(-c3cccc(C(F)(F)F)c3)s2)nc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 3/20 0.56
HSP90AA1 P07900 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CDC7 O00311 2/20 0.52
DBF4 Q9UBU7 2/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TRPM8 Q7Z2W7 4/20 0.49
LMNA P02545 1/20 0.49
PPARA Q07869 1/20 0.48
DHODH Q02127 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL1198591 0.91 MAPT (0.81) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL289583 0.90 KDM4E (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Lithium Ion SCHEMBL27657109 0.88 MAPT (0.77) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL289325 0.87 TRPM8 (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL290210 0.87 KDM4E (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL289156 0.86 ALDH1A1 (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL290226 0.86 KDM4E (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL289978 0.85 SMN1; SMN2 (0.82) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL290101 0.85 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL289979 0.85 TRPM8 (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed