SCHEMBL22150413

SCHEMBL22150413

NC(=O)c1cc(OCCCN2CCOCC2)c2[nH]c(N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 11/20 0.49
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHEK2 O96017 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
CHUK O15111 1/20 0.40
INSR P06213 1/20 0.40
MAPK8 P45983 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MTOR P42345 1/20 0.40

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
Bromide SCHEMBL28599228 0.99 STING1 (0.49) STING1KDM4EGAAPKMUSP2
SCHEMBL30182113 0.83 STING1 (0.49) STING1KDM4EGAAPKMUSP2
SCHEMBL20075498 0.80 STING1 (0.56) STING1KDM4EUSP2TDP1
SCHEMBL23234059 0.80 HTR1A (0.44) STING1KDM4EGAAPKMUSP2
SCHEMBL28522082 0.78 STING1 (0.56) STING1KDM4EGAAPKMUSP2
SCHEMBL30412798 0.77 STING1 (0.65) STING1
SCHEMBL22135066 0.77 STING1 (0.57) STING1USP2
SCHEMBL19436532 0.77 STING1 (0.68) STING1
SCHEMBL29776116 0.77 STING1 (0.43) STING1KDM4EGAAPKMUSP2
Bromide SCHEMBL23327843 0.76 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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed