SCHEMBL290136

SCHEMBL290136

Cc1nc(-c2ccc(-c3ccccc3OC(F)(F)F)s2)sc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.45
SCN9A Q15858 2/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 3/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSA P10619 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TARBP2 Q15633 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
SCHEMBL289570 0.87 ALDH1A1 (0.55) SMN1; SMN2KDM4EALDH1A1RAB9AKMT2A
SCHEMBL289862 0.86 APP (0.55) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL290129 0.79 PPARA (0.53) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL13064837 0.78 ALDH1A1 (0.46) KDM4EALDH1A1KMT2ASCN9AHPGD
SCHEMBL289399 0.77 HTR2C (0.58) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL289596 0.76 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL289408 0.75 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL290399 0.74 KDM4E (0.48) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL3436652 0.74 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL289029 0.74 APP (0.41) ALDH1A1SCN9APOLBHDAC6CYP2C9

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