SCHEMBL22135068

SCHEMBL22135068

CCCn1c(NC(=O)c2ccn[nH]2)nc2cc(C(N)=O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 10/20 0.62
▸ MAP3K7 O43318 1/20 0.59
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ USP2 O75604 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ PPARG P37231 1/20 0.56
▸ NCOA2 Q15596 1/20 0.56
▸ NCOA1 Q15788 1/20 0.56
▸ NCOA3 Q9Y6Q9 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ TBK1 Q9UHD2 1/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ TSHR P16473 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL22118178 0.82 STING1 (0.66) STING1MAP3K7KDM4EALDH1A1HPGD
SCHEMBL22135356 0.81 STING1 (0.68) STING1MAP3K7KDM4EALDH1A1HPGD
SCHEMBL22136152 0.81 STING1 (0.65) STING1MAP3K7KDM4EALDH1A1HPGD
SCHEMBL22135964 0.80 STING1 (0.62) STING1MAP3K7KDM4EALDH1A1HPGD
SCHEMBL22136149 0.80 STING1 (0.64) STING1MAP3K7KDM4EALDH1A1HPGD
SCHEMBL22136256 0.79 STING1 (0.61) STING1MAP3K7KDM4EALDH1A1HPGD
SCHEMBL22135359 0.79 STING1 (0.75) STING1MAP3K7KDM4EALDH1A1HPGD
SCHEMBL29867877 0.79 STING1 (0.83) STING1TBK1
SCHEMBL22135904 0.78 STING1 (0.62) STING1MAP3K7KDM4EALDH1A1HPGD
SCHEMBL22135956 0.78 STING1 (0.65) STING1MAP3K7KDM4EALDH1A1HPGD

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-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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