SCHEMBL28439301

SCHEMBL28439301

CCOC(=O)[C@H]1CCCN(C(=O)C(C=O)c2ccc3c(-c4ccc(F)cc4Cl)cc(=O)oc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL28439299 1.00 KMT2A (0.45) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28432348 0.92 KMT2A (0.37) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28432347 0.92 KMT2A (0.37) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28897158 0.91 KMT2A (0.48) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28441130 0.91 CYP3A4 (0.37) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28441129 0.91 CYP3A4 (0.37) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28896412 0.90 CYP3A4 (0.35) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28896416 0.90 CYP3A4 (0.35) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28897151 0.90 MAPT (0.36) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL28431815 0.89 ALDH1A1 (0.37) KMT2AMEN1MAPTALDH1A1KDM4E

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-111386261-A Coumarin derivatives, preparation method thereof and application thereof in cancer treatment 利德发现中心有限责任公司 2020-07-07 — — CN claimed
CN-111386261-A Coumarin derivatives, preparation method thereof and application thereof in cancer treatment 利德发现中心有限责任公司 2020-07-07 — — CN disclosed
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