SCHEMBL22136298

SCHEMBL22136298

Cc1ccc2c(c1)nc(NC(=O)c1onc3c1CCCC3)n2CCCCn1cnc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 6/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 4/20 0.45
PKM P14618 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OPRK1 P41145 4/20 0.45
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL22136253 0.90 STING1 (0.50) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22136283 0.80 KDM4E (0.59) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22135908 0.76 STING1 (0.56) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22136264 0.75 STING1 (0.60) MEN1KMT2ALMNAKDM4ECYP2C19
SCHEMBL22150261 0.73 STING1 (0.67) STING1
SCHEMBL22136291 0.73 STING1 (0.55) MEN1KMT2ALMNAKDM4ECYP2C19
SCHEMBL22136125 0.72 STING1 (0.47) CYP2C19STING1
SCHEMBL22135941 0.71 MAP3K7 (0.53) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22150251 0.69 STING1 (0.43) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL24467629 0.64 STING1 (0.67) STING1

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