SCHEMBL31196319

SCHEMBL31196319

CCOC(=O)[C@H]1CC[C@H](COc2cc(Cl)ncn2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.39
HSD11B1 P28845 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL31196594 0.85 KDM4E (0.39) KMT2AMEN1MAPK1TSHRMAPT
SCHEMBL22247294 0.77 KMO (0.40) KMT2AMEN1
SCHEMBL31196325 0.76 HPGD (0.40) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL24737343 0.71 KMT2A (0.39) KMT2AMEN1TSHRMAPTPOLB
SCHEMBL29880067 0.71 KMT2A (0.39) KMT2AMEN1TSHRMAPTPOLB
SCHEMBL6182350 0.71 MAPT (0.55) KMT2AMEN1MAPK1TSHRMAPT
SCHEMBL2705546 0.69 FFAR4 (0.39) KMT2AMEN1RAB9A
SCHEMBL31196382 0.68 KMO (0.36) LMNA
SCHEMBL15308686 0.68 MEN1 (0.44) KMT2AMEN1MAPTALDH1A1CYP2C19
SCHEMBL31196261 0.68 MEN1 (0.44) KMT2AMEN1MAPTALDH1A1CYP2C19

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-4709716-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
WO-2024233554-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed