SCHEMBL16881118

SCHEMBL16881118

COC(=O)c1cncc(Cc2ccc(CN)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.59
▸ ATM Q13315 1/20 0.50
▸ KLKB1 P03952 6/20 0.45
▸ KLK1 P06870 6/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ CYP4F2 P78329 2/20 0.42

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
SCHEMBL12407009 0.88 ATM (0.59) LOXL2ATMCA12CA1CA2
SCHEMBL26961945 0.86 ATM (0.50) ATMALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL30675668 0.86 ATM (0.50) ATMALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL23120562 0.85 ATM (0.53) LOXL2ATMKLKB1KLK1CA1
SCHEMBL16880735 0.84 KLKB1 (0.48) ATMKLKB1KLK1CA12CA1
SCHEMBL16881389 0.83 ATM (0.44) LOXL2ATMKLKB1KLK1CA12
SCHEMBL16880649 0.82 KMT2A (0.47) ATMKLKB1KLK1ALDH1A1MAPT
SCHEMBL16881124 0.81 ATM (0.46) LOXL2ATMKLKB1KLK1CA12
SCHEMBL16881141 0.80 ATM (0.44) LOXL2ATMKLKB1KLK1CA12
SCHEMBL16880998 0.80 SMN1; SMN2 (0.51) ATMALDH1A1KDM4EMAPTHPGD

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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