SCHEMBL23905239

SCHEMBL23905239

COc1cc(C)cc2sc(C3CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR1H4 Q96RI1 2/20 0.37
TP53 P04637 2/20 0.37
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
MKNK1 Q9BUB5 1/20 0.35
ACHE P22303 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CREBBP Q92793 1/20 0.33
ILK Q13418 1/20 0.33

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
SCHEMBL24448475 0.85 UBE2M (0.34) ROCK2TP53UBE2MDCUN1D1MKNK1
SCHEMBL23905504 0.79 NR1H4 (0.52) NPSR1RXFP1NR1H4TP53UBE2M
SCHEMBL23904810 0.78 UBE2M (0.44) NPSR1RXFP1NR1H4TP53UBE2M
SCHEMBL20049214 0.77 MAPT (0.53) NPSR1RXFP1TP53ACHEHSD17B10
SCHEMBL6172529 0.77 ALDH1A1 (0.58) NPSR1TP53UBE2MDCUN1D1HSD17B10
SCHEMBL13826794 0.76 TP53 (0.41) TP53UBE2MDCUN1D1MAPTTSHR
SCHEMBL2664863 0.74 HSD17B10 (0.64) TP53ACHEHSD17B10MAPTTSHR
SCHEMBL20049114 0.72 ACHE (0.37) NPSR1RXFP1ACHEHSD17B10MAPT
SCHEMBL21328395 0.71 UBE2M (0.41) ROCK2NPSR1RXFP1NR1H4TP53
SCHEMBL6172975 0.69 ALDH1A1 (0.44) TP53UBE2MDCUN1D1HSD17B10MAPT

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
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed