SCHEMBL31321908

SCHEMBL31321908

COC(=O)c1cc(NC[C@@H]2CCO2)c(N)c(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ PTGER4 P35408 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ HPGD P15428 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27176929 0.88 KDM4E (0.42) KMT2APTGER4HPGDKDM4EALDH1A1
SCHEMBL31159781 0.85 ALDH1A1 (0.43) KMT2APTGER4HPGDKDM4EALDH1A1
SCHEMBL30966520 0.85 ALDH1A1 (0.47) KMT2APTGER4HPGDKDM4EALDH1A1
SCHEMBL31159929 0.84 KMT2A (0.36) KMT2APTGER4HPGDKDM4EALDH1A1
SCHEMBL31160097 0.84 KMT2A (0.38) KMT2APTGER4HPGDKDM4EALDH1A1
SCHEMBL31321932 0.84 KMT2A (0.42) KMT2AHPGDKDM4EALDH1A1MEN1
SCHEMBL25404705 0.83 KMT2A (0.40) KMT2APTGER4HPGDKDM4EALDH1A1
SCHEMBL31463429 0.83 KMT2A (0.40) KMT2APTGER4HPGDKDM4EALDH1A1
SCHEMBL25279173 0.83 KMT2A (0.40) KMT2APTGER4HPGDKDM4EALDH1A1
SCHEMBL24901946 0.83 PTGER4 (0.43) KMT2APTGER4HPGDKDM4EALDH1A1

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-119330949-A Polycyclic compound and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-01-21 — — CN disclosed
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