SCHEMBL16880649

SCHEMBL16880649

COC(=O)c1cncc(Cc2ccc(CNC(C)=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KLKB1 P03952 4/20 0.46
▸ KLK1 P06870 4/20 0.46
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ KDM1A O60341 1/20 0.41

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
SCHEMBL16880735 0.88 KLKB1 (0.48) ATMKLKB1KLK1ALDH1A1NAMPT
SCHEMBL16880998 0.87 SMN1; SMN2 (0.51) KMT2AATMALDH1A1POLBMAPT
SCHEMBL16880811 0.87 ATM (0.42) ATMKLKB1KLK1POLB
SCHEMBL16881310 0.86 KMT2A (0.60) KMT2AKLKB1KLK1HDAC1HDAC6
SCHEMBL16891565 0.85 KMT2A (0.48) KMT2AKLKB1KLK1HDAC1HDAC6
SCHEMBL16881118 0.82 LOXL2 (0.59) ATMKLKB1KLK1ALDH1A1MAPT
SCHEMBL30675668 0.82 ATM (0.50) KMT2AATMALDH1A1POLBMAPT
SCHEMBL26961945 0.82 ATM (0.50) KMT2AATMALDH1A1POLBMAPT
SCHEMBL23120562 0.82 ATM (0.53) ATMKLKB1KLK1ALDH1A1RAB9A
SCHEMBL16881190 0.82 ATM (0.42) ATMKLKB1KLK1ALDH1A1

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 4 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
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 — — EP disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 — — CN disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 — — WO disclosed
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