SCHEMBL28039877

SCHEMBL28039877

O=C=NCCC[C](c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KEAP1 Q14145 4/20 0.35
NFE2L2 Q16236 4/20 0.35
NR4A2 P43354 1/20 0.34
MIF P14174 3/20 0.34

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
SCHEMBL28491311 0.89 L3MBTL1 (0.36) L3MBTL1MAPTTDP1LMNAGAA
SCHEMBL10456807 0.84 TDP1 (0.60) L3MBTL1MAPTTDP1LMNAGAA
Benzoic Acid SCHEMBL11127542 0.79 TSHR (0.54) L3MBTL1MAPTTDP1LMNAGAA
Benzoic Acid SCHEMBL1793582 0.77 TSHR (0.47) CES1CES2ALDH1A1NAAA
SCHEMBL28434771 0.76 HSD17B10 (0.38) L3MBTL1MAPTTDP1LMNAGAA
SCHEMBL28493678 0.75 HPGD (0.42) L3MBTL1MAPTTDP1LMNAGAA
SCHEMBL5818645 0.74 MAOA (0.40) L3MBTL1MAPTTDP1LMNANR4A2
Phenol SCHEMBL4082104 0.73 CA12 (0.44) TDP1KEAP1NFE2L2MIFNPC1
SCHEMBL21707122 0.73 PRSS1 (0.56) L3MBTL1MAPTTDP1LMNAKDM4E
Biphenyl SCHEMBL2353895 0.72 NAAA (0.44) MAPTLMNAGAAKEAP1NFE2L2

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-105814087-A Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2016-07-27 CN disclosed
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed