SCHEMBL5765249

SCHEMBL5765249

CCc1cc2c(=O)nc(SC)[nH]c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
PKM P14618 2/20 0.38
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
XDH P47989 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM6B O15054 1/20 0.30

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
SCHEMBL5763588 0.79 PARP1 (0.37) PARP1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL1441939 0.75 HTT (0.49) HTTPKMKMT2APARP1KDM4E
SCHEMBL23160932 0.75 HTT (0.47) HTTPKMPOLBKMT2AKDM4E
SCHEMBL5765110 0.69 PARP1 (0.37) PARP1
SCHEMBL8241597 0.69 XDH (0.44) HTTKMT2AMAPTXDHSMN1; SMN2
SCHEMBL25350548 0.65 PKM (0.68) HTTPKMPOLBKMT2AMAPT
SCHEMBL1132916 0.64 ALDH1A1 (0.44) HTTPOLBKMT2APARP1KDM4E
SCHEMBL1131992 0.62 HPGD (0.58) KMT2AKDM4ESMN1; SMN2RXFP1ALDH1A1
SCHEMBL9878843 0.62 ADORA1 (0.44) HTTPKMPOLBKMT2AKDM4E
SCHEMBL8234838 0.61 KMT2A (0.58) POLBKMT2APARP1KDM4EMAPT

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-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed