SCHEMBL25028039

SCHEMBL25028039

O=C(NCc1ccc2c(c1)OCCN2c1ccccc1)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 1/20 0.45
ROCK2 O75116 2/20 0.44
GSK3B P49841 1/20 0.42
FAAH O00519 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NAMPT P43490 1/20 0.39
TSHR P16473 1/20 0.39
ROCK1 Q13464 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL30895148 1.00 KDM4E (0.48) KDM4ERAB9ANPC1POLBROCK2
SCHEMBL29226888 0.93 RAB9A (0.49) KDM4ERAB9ANPC1POLBROCK2
SCHEMBL29979571 0.89 MAPT (0.41) KDM4ERAB9ANPC1POLBFAAH
SCHEMBL23769056 0.89 MAPT (0.41) KDM4ERAB9ANPC1POLBFAAH
SCHEMBL30248501 0.87 KDM4E (0.47) KDM4ERAB9ANPC1POLBROCK2
SCHEMBL25028533 0.87 KDM4E (0.47) KDM4ERAB9ANPC1POLBROCK2
SCHEMBL23768832 0.83 TRPV1 (0.43) KDM4ERAB9ANPC1POLBFAAH
SCHEMBL29978948 0.83 TRPV1 (0.43) KDM4ERAB9ANPC1POLBFAAH
SCHEMBL30895162 0.82 ROCK2 (0.44) KDM4ERAB9ANPC1POLBROCK2
SCHEMBL25028041 0.82 ROCK2 (0.44) KDM4ERAB9ANPC1POLBROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019738-A Small molecule urea derivatives as STING antagonists 库拉德夫制药私人有限公司 2024-05-10 CN claimed
WO-2023017452-A1 SMALL MOLECULE UREA DERIVATIVES AS STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 WO disclosed