SCHEMBL30279641

SCHEMBL30279641

COC(=O)Cn1nc(C(C)=O)n2c(cc3ccccc32)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
NPC1 O15118 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.42
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL23975741 1.00 THRB (0.51) THRBNPC1RXFP1TP53KDM4E
SCHEMBL30279640 1.00 THRB (0.51) THRBNPC1RXFP1TP53KDM4E
SCHEMBL28965217 0.88 THRB (0.52) THRBNPC1RXFP1TP53MAPT
SCHEMBL25633311 0.85 THRB (0.48) THRBNPC1RXFP1TP53KDM4E
SCHEMBL30279650 0.85 THRB (0.48) THRBNPC1RXFP1TP53KDM4E
SCHEMBL30279639 0.85 THRB (0.52) THRBNPC1RXFP1TP53KDM4E
SCHEMBL25633303 0.85 THRB (0.52) THRBNPC1RXFP1TP53KDM4E
SCHEMBL23975546 0.85 THRB (0.54) THRBNPC1RXFP1TP53KDM4E
SCHEMBL30279652 0.85 THRB (0.54) THRBNPC1RXFP1TP53KDM4E
SCHEMBL30279648 0.83 TSHR (0.53) THRBNPC1RXFP1TP53KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143192-A1 NEW TRIAZINOINDOLE COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-03-08 EP disclosed