SCHEMBL289903

SCHEMBL289903

Cc1nc(Br)sc1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 2/20 0.52
USP2 O75604 1/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
GFER P55789 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
OPRM1 P35372 1/20 0.48

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
SCHEMBL1426839 0.76 ALDH1A1 (0.52) L3MBTL1KMT2AMEN1HPGDALDH1A1
SCHEMBL1895320 0.76 CNR1 (0.61) GAASMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL10341777 0.72 HSP90AA1 (0.85) SMN1; SMN2TSHRL3MBTL1KMT2AMEN1
SCHEMBL5909023 0.71 SMN1; SMN2 (0.56) SMN1; SMN2TSHRL3MBTL1KMT2AMEN1
SCHEMBL5909291 0.70 SMN1; SMN2 (0.57) SMN1; SMN2TSHRL3MBTL1KMT2AMEN1
SCHEMBL12332491 0.70 SMN1; SMN2 (0.69) GAASMN1; SMN2TSHRKMT2AMEN1
SCHEMBL3399685 0.70 CNR1 (0.55) GAASMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL5908986 0.70 SMN1; SMN2 (1.00) GAASMN1; SMN2TSHRL3MBTL1KMT2A
SCHEMBL27607283 0.70 AKR1C3 (0.83) GAASMN1; SMN2TSHRKMT2AMEN1
SCHEMBL16026460 0.70 CA12 (0.71) GAASMN1; SMN2TSHRKMT2AMEN1

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