SCHEMBL29068670

SCHEMBL29068670

COCOc1cc(-n2ncc3c[c]ccc32)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
NR3C1 P04150 9/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MAP4K1 Q92918 6/20 0.35
PGR P06401 2/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL25340605 0.81 NR3C1 (0.42) FFAR4NR3C1CYP11B1CYP11B2MAP4K1
SCHEMBL695279 0.79 NR3C1 (0.39) NR3C1CYP11B1CYP11B2PGR
SCHEMBL29509715 0.78 NR3C1 (0.46) FFAR4NR3C1CYP11B1CYP11B2PGR
SCHEMBL25338683 0.78 NR3C1 (0.46) FFAR4NR3C1CYP11B1CYP11B2PGR
SCHEMBL695356 0.72 NR3C1 (0.51) NR3C1CYP11B2PGR
SCHEMBL20764751 0.72 CYP11B1 (0.36) CYP11B1CYP11B2MAP4K1MAPK1
SCHEMBL20764749 0.71 SMO (0.45) NR3C1CYP11B1CYP11B2
SCHEMBL694709 0.71 CYP11B2 (0.48) NR3C1CYP11B1CYP11B2PGR
SCHEMBL29509857 0.70 NR3C1 (0.53) NR3C1PGR
SCHEMBL25338509 0.70 NR3C1 (0.53) NR3C1PGR

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
CN-116744918-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-09-12 CN disclosed