SCHEMBL30896342

SCHEMBL30896342

Cn1ncc2ccc(Oc3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.45
ACSS2 Q9NR19 1/20 0.43
GALR3 O60755 1/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 3/20 0.42
PRMT5 O14744 2/20 0.42
SCN9A Q15858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCDIN3D Q7Z5W3 2/20 0.41
LTA4H P09960 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL27261035 0.85 EGFR (0.43) HAO1PRMT5SCN9AHTR2AHTR2C
SCHEMBL27260141 0.81 SCN9A (0.44) HAO1PPARGPRMT5SCN9AHTR2A
SCHEMBL27260026 0.78 PPARG (0.45) HAO1PPARGPRMT5SCN9AHTR2A
SCHEMBL31613196 0.76 CYP1A2 (0.42) HAO1BCDIN3D
SCHEMBL27260447 0.76 SCN9A (0.41) HAO1PPARGPRMT5SCN9AHTR2A
SCHEMBL30444577 0.74 NOTUM (0.42) HAO1PRMT5SCN9AHTR2AHTR2C
SCHEMBL27260567 0.74 SCN9A (0.41) HAO1PRMT5SCN9AHTR2AHTR2C
SCHEMBL7550492 0.74 KDR (0.43) PPARG
SCHEMBL27260137 0.74 SCN9A (0.41) HAO1GAAPPARGPRMT5SCN9A
SCHEMBL7550488 0.74 KDR (0.43) PPARG

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
EP-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 EP disclosed
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 WO disclosed