SCHEMBL16236089

SCHEMBL16236089

COc1cc2ccccc2n1CCS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PTGS2 P35354 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
FGB P02675 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 1/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL27903386 0.80 LMNA (0.44) KMT2AMEN1CYP1A2USP2CYP3A4
SCHEMBL28164979 0.78 MTNR1A (0.37) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL28164991 0.78 APP (0.38) KMT2AMEN1CYP1A2USP2CASP1
SCHEMBL16235881 0.77 ALDH1A1 (0.41) KMT2AMEN1CYP1A2USP2ESR1
SCHEMBL23956107 0.76 ALDH1A1 (0.56) CYP1A2ALDH1A1POLBKDM4ETSHR
SCHEMBL28165404 0.76 MCL1 (0.41) KMT2AALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL6750659 0.75 ALDH1A1 (0.63) CYP1A2ALDH1A1POLBMTNR1AMTNR1B
SCHEMBL27990355 0.73 L3MBTL1 (0.59) KMT2AMEN1CYP1A2ALDH1A1POLB
SCHEMBL28165429 0.72 CNR2 (0.47) KMT2AMEN1CYP1A2CASP1ALDH1A1
SCHEMBL8043623 0.72 CCR2 (0.54) KMT2ACYP1A2ESR1CYP2C19ALDH1A1

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-2997028-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2016-03-23 EP disclosed
WO-2014184163-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 WO disclosed