SCHEMBL28098346

SCHEMBL28098346

CC(O)c1ccc(C=CC(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PTGS2 P35354 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
ESR1 P03372 2/20 0.41
CA12 O43570 1/20 0.41
AKR1B10 O60218 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL1381805 0.87 KDM4E (0.70) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL12894656 0.87 KDM4E (0.70) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL13476341 0.83 TDP1 (0.57) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL11683046 0.83 KDM4E (0.76) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL1450230 0.82 F3 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTPTGS2
SCHEMBL28263546 0.81 KDM4E (0.53) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL1124327 0.76 MAPT (0.62) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL14941433 0.76 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14941432 0.76 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1124325 0.76 MAPT (0.62) KDM4ESMN1; SMN2NPC1RAB9APOLB

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-106459324-A Composition for forming cured film, alignment material, and phase difference material 日产化学工业株式会社 2017-02-22 CN disclosed
CN-106062009-A Cured-film-forming composition, alignment material, and phase difference material 日产化学工业株式会社 2016-10-26 CN disclosed