SCHEMBL30989724

SCHEMBL30989724

CCS(=O)(=O)c1cc(-c2ccc(C3CC3)cc2)cnc1-c1nc2cc(C(C)(F)F)cnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ RORC P51449 4/20 0.31
▸ DGAT1 O75907 2/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL25885994 1.00 POLB (0.33) POLBGRIN1GRIN2BRORCDGAT1
SCHEMBL30989728 0.95 POLB (0.39) POLBGRIN1GRIN2BDGAT1
SCHEMBL25885629 0.95 POLB (0.39) POLBGRIN1GRIN2BDGAT1
SCHEMBL25885639 0.93 POLB (0.33) POLBGRIN1GRIN2BRORC
SCHEMBL31081718 0.88 PIM1 (0.33) POLBGRIN1GRIN2B
SCHEMBL25437550 0.88 RORC (0.33) GRIN1GRIN2BRORCDGAT1
SCHEMBL30989689 0.88 RORC (0.33) GRIN1GRIN2BRORCDGAT1
SCHEMBL30989653 0.87 BRD4 (0.31) GRIN1GRIN2BRORCBRD4
SCHEMBL25885742 0.87 BRD4 (0.31) GRIN1GRIN2BRORCBRD4
SCHEMBL25886057 0.87 DGAT1 (0.31) RORCDGAT1BRD4

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-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 — — CN disclosed
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