SCHEMBL16880998

SCHEMBL16880998

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.48
▸ F13A1 P00488 1/20 0.48
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ ACACB O00763 2/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ POLB P06746 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
SCHEMBL16880649 0.87 KMT2A (0.47) ALDH1A1MAPTATMKMT2APOLB
SCHEMBL16881056 0.87 KDM4E (0.50) SMN1; SMN2KDM4EF13A1MTNR1AMTNR1B
SCHEMBL30675668 0.80 ATM (0.50) ALDH1A1LMNAMAPTATMKMT2A
SCHEMBL16881118 0.80 LOXL2 (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL26961945 0.80 ATM (0.50) ALDH1A1LMNAMAPTATMKMT2A
SCHEMBL23120562 0.80 ATM (0.53) ALDH1A1LMNAHPGDHIF1AATM
SCHEMBL16880811 0.80 ATM (0.42) ATMPOLB
SCHEMBL14966449 0.79 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL16880735 0.79 KLKB1 (0.48) ALDH1A1ATM
SCHEMBL16881233 0.78 ACACB (0.50) ATMACACB

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
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 — — EP disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 — — WO disclosed
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