SCHEMBL25680295

SCHEMBL25680295

CC(C)Cc1ccc(NF)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PTGS1 P23219 4/20 0.42
▸ PTGS2 P35354 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CXCR1 P25024 3/20 0.42
▸ CXCR2 P25025 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ ADRB3 P13945 1/20 0.42

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
SCHEMBL1131597 0.80 PTGS1 (0.56) MAPTALDH1A1CHRM1PDE4APTGS1
SCHEMBL8253790 0.79 SMN1; SMN2 (0.45) SMN1; SMN2GAAMAPTCRHBPCRHR2
SCHEMBL16869994 0.77 TDP1 (0.50) SMN1; SMN2GAAMAPTCRHBPCRHR2
SCHEMBL22702642 0.77 SMN1; SMN2 (0.44) SMN1; SMN2GAAMAPTCRHBPCRHR2
SCHEMBL29034848 0.77 EPHX1 (0.46) SMN1; SMN2GAAMAPTCRHBPCRHR2
SCHEMBL5174938 0.77 PTGS1 (0.54) MAPTALDH1A1CHRM1PDE4APTGS1
SCHEMBL13769436 0.76 PTGS1 (0.46) SMN1; SMN2GAAMAPTCRHBPCRHR2
SCHEMBL12298580 0.76 MAPT (0.42) SMN1; SMN2GAAMAPTCRHBPCRHR2
SCHEMBL24196455 0.75 FAAH (0.46) SMN1; SMN2GAAMAPTCRHBPCRHR2
SCHEMBL14004749 0.75 EPHX1 (0.41) SMN1; SMN2GAAMAPTCRHBPCRHR2

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
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — WO disclosed
CN-108863850-A Biaryl base class compound and its preparation method and application 复旦大学 2018-11-23 — — CN disclosed
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