SCHEMBL289978

SCHEMBL289978

Cc1nc(-c2ccc(-c3cccc(C(F)(F)F)c3)s2)sc1C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.82
ALDH1A1 P00352 4/20 0.82
XDH P47989 1/20 0.54
MAPT P10636 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 3/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 5/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
PPARA Q07869 2/20 0.49
NR1H4 Q96RI1 1/20 0.49
PIN1 Q13526 1/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.46
KMO O15229 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
IL2 P60568 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43

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
SCHEMBL979633 0.90 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1XDHMAPTRAB9A
SCHEMBL289596 0.86 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1XDHMAPTRAB9A
SCHEMBL290128 0.85 MAPT (0.69) SMN1; SMN2ALDH1A1MAPTRAB9ANPC1
SCHEMBL289408 0.85 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1XDHMAPTRAB9A
SCHEMBL289964 0.82 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTRAB9ANPC1
SCHEMBL4740518 0.80 ALDH1A1 (0.81) SMN1; SMN2ALDH1A1XDHMAPTRAB9A
SCHEMBL290134 0.79 KDM4E (0.75) SMN1; SMN2ALDH1A1XDHMAPTRAB9A
SCHEMBL8867441 0.79 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1XDHMAPTRAB9A
SCHEMBL289866 0.79 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1XDHMAPTRAB9A
SCHEMBL290129 0.79 PPARA (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E

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