SCHEMBL22136283

SCHEMBL22136283

CCCn1c(NC(=O)c2onc3c2CCCC3)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.59
KMT2A Q03164 9/20 0.59
MEN1 O00255 8/20 0.59
TSHR P16473 6/20 0.59
HTT P42858 7/20 0.57
PKM P14618 4/20 0.57
SMN1; SMN2 Q16637 8/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 4/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 8/20 0.55
NPSR1 Q6W5P4 4/20 0.55
USP2 O75604 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 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
SCHEMBL22135941 0.87 MAP3K7 (0.53) KDM4EKMT2AMEN1TSHRHTT
SCHEMBL22135908 0.87 STING1 (0.56) KDM4EKMT2AMEN1TSHRHTT
SCHEMBL22136298 0.80 RAB9A (0.45) KDM4EKMT2AMEN1TSHRHTT
SCHEMBL22135940 0.78 STING1 (0.47) KDM4EKMT2AMEN1HTTPKM
SCHEMBL22136253 0.78 STING1 (0.50) KDM4EKMT2AMEN1HTTPKM
SCHEMBL23566409 0.77 KDM4E (0.80) KDM4EKMT2AMEN1TSHRHTT
SCHEMBL22136290 0.75 STING1 (0.43) KDM4EKMT2AMEN1HTTPKM
SCHEMBL22136237 0.75 STING1 (0.58)
SCHEMBL23566386 0.73 KDM4E (0.78) KDM4EKMT2AMEN1TSHRHTT
SCHEMBL22135943 0.72 STING1 (0.49) KMT2AMEN1HTTPKMSMN1; SMN2

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed