SCHEMBL30845786

SCHEMBL30845786

NC(=O)c1cn2cc(-c3ccccc3)ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.63
ALDH1A3 P47895 5/20 0.57
ALDH1A1 P00352 3/20 0.57
ALDH1A2 O94788 1/20 0.57
TGFBR1 P36897 3/20 0.52
SLC2A1 P11166 1/20 0.51
NR4A2 P43354 2/20 0.48
CYP2C9 P11712 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL30845778 0.88 EGLN1 (0.64) EGLN1ALDH1A3ALDH1A1TGFBR1
SCHEMBL30977270 0.87 EGLN1 (0.66) EGLN1ALDH1A3ALDH1A1ALDH1A2SLC2A1
SCHEMBL3660590 0.87 EGLN1 (0.66) EGLN1ALDH1A3ALDH1A1ALDH1A2SLC2A1
SCHEMBL2088007 0.83 EGLN1 (0.61) EGLN1ALDH1A3ALDH1A1ALDH1A2SLC2A1
SCHEMBL21033184 0.81 ALDH1A3 (0.60) EGLN1ALDH1A3ALDH1A1ALDH1A2SLC2A1
SCHEMBL30845768 0.80 TGFBR1 (0.54) EGLN1ALDH1A3TGFBR1NR4A2CYP2C9
SCHEMBL30845797 0.80 TGFBR1 (0.48) EGLN1TGFBR1NR4A2
SCHEMBL3366348 0.80 CYP2C9 (0.73) EGLN1NR4A2CYP2C9
SCHEMBL22926313 0.79 EGLN1 (0.60) EGLN1ALDH1A3ALDH1A1ALDH1A2SLC2A1
SCHEMBL30845755 0.79 MAP3K5 (0.52) EGLN1TGFBR1NR4A2

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-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN claimed
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed