SCHEMBL29008095

SCHEMBL29008095

CCOC(=O)c1cn(-c2ccc(N3CC(N(C)C)C3)nc2)c2cc(F)c(C#N)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RET P07949 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL30416796 1.00 STAT3 (0.40) STAT3EGLN1NPC1RETKDM4E
SCHEMBL30180890 1.00 STAT3 (0.40) STAT3EGLN1NPC1RETKDM4E
SCHEMBL30181102 0.89 NPC1 (0.45) NPC1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL29007911 0.89 NPC1 (0.45) NPC1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL29007976 0.84 NPC1 (0.41) NPC1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL30181266 0.84 NPC1 (0.41) NPC1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL30417628 0.82 MAPK8 (0.39) NPC1KDM4EHPGDALDH1A1KMT2A
SCHEMBL29007745 0.80 LMNA (0.48) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL30417566 0.78 ELANE (0.46) KMT2AHTTMEN1
SCHEMBL29007784 0.77 LMNA (0.43) KDM4EHPGDALDH1A1HSD17B10KMT2A

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-116157392-A Compounds targeting RNA binding proteins or RNA modification proteins 雷多纳治疗公司 2023-05-23 — — CN disclosed
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