SCHEMBL28105192

SCHEMBL28105192

CC(=O)NCc1cc(F)c(CCc2cncc(C(=O)O)c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ HCAR2 Q8TDS4 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DDO Q99489 1/20 0.34
▸ BDKRB1 P46663 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ KLK1 P06870 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP7 Q9UHL4 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
SCHEMBL16881188 0.89 KMT2A (0.41) KMT2AHCAR2KDM4EALDH1A1EPHX2
SCHEMBL28105743 0.87 KMT2A (0.43) KMT2AHCAR2KDM4EALDH1A1EPHX2
SCHEMBL28105209 0.81 KMT2A (0.60) KMT2AHCAR2KDM4EALDH1A1EPHX2
SCHEMBL16881357 0.78 KMT2A (0.43) KMT2AHCAR2KDM4EALDH1A1EPHX2
SCHEMBL16881413 0.77 ATM (0.43) ALDH1A1POLBBDKRB1KLKB1KLK1
SCHEMBL16891497 0.75 BDKRB1 (0.36) BDKRB1KLKB1KLK1
SCHEMBL16881310 0.73 KMT2A (0.60) KMT2AHCAR2KDM4EALDH1A1NR1H4
SCHEMBL29788856 0.72 BDKRB1 (0.46) KMT2ABDKRB1DPP4DPP8DPP7
SCHEMBL28379915 0.71 DPP4 (0.35) HCAR2ALDH1A1DPP4DPP8DPP7
SCHEMBL16881392 0.71 BDKRB1 (0.39) KMT2AALDH1A1MEN1BDKRB1KLKB1

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-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 — — CN disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 — — CN disclosed
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