SCHEMBL30006081

SCHEMBL30006081

Cc1cc(F)c(F)c2c1NC(=O)C(C)(C)N2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MOGAT2 Q3SYC2 8/20 0.40
▸ AKR1B1 P15121 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ AR P10275 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL21624351 1.00 MOGAT2 (0.40) MOGAT2AKR1B1NR3C1PGRNR3C2
SCHEMBL30668452 0.83 MOGAT2 (0.39) MOGAT2NR3C1PGRNR3C2AR
SCHEMBL21624342 0.83 MOGAT2 (0.39) MOGAT2NR3C1PGRNR3C2AR
SCHEMBL21624389 0.83 MOGAT2 (0.36) MOGAT2NR3C1PGRKMT2A
SCHEMBL21624325 0.79 — —
SCHEMBL30668453 0.79 — —
SCHEMBL30668483 0.79 MOGAT2 (0.43) MOGAT2AKR1B1AR
SCHEMBL21624379 0.79 MOGAT2 (0.38) MOGAT2AKR1B1
SCHEMBL21624366 0.79 MOGAT2 (0.43) MOGAT2AKR1B1AR
SCHEMBL30668486 0.79 MOGAT2 (0.38) MOGAT2AKR1B1

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-112771046-B Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 — — CN disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP disclosed
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