SCHEMBL9145013

SCHEMBL9145013

CC(=O)Nc1ccc(/C=C(\C)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MB P02144 1/20 0.52
CYP1A1 P04798 1/20 0.52
CA3 P07451 1/20 0.52

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
SCHEMBL9145022 1.00 PTGS2 (0.56) PTGS2KDM4EESR1ESR2L3MBTL1
SCHEMBL13927155 0.82 SMN1; SMN2 (0.59) KDM4EL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL14198044 0.82 KDM4E (0.60) PTGS2KDM4EL3MBTL1SMN1; SMN2HTT
SCHEMBL28396692 0.79 KDM4E (0.57) PTGS2KDM4EL3MBTL1SMN1; SMN2HTT
SCHEMBL9110916 0.79 SMN1; SMN2 (0.55) KDM4EL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL9110915 0.79 SMN1; SMN2 (0.55) KDM4EL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL8422587 0.79 ESR1 (0.61) PTGS2ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL29277830 0.78 KDM4E (0.64) PTGS2KDM4EESR1ESR2L3MBTL1
SCHEMBL10944710 0.78 SMN1; SMN2 (0.64) KDM4EL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL7941711 0.78 SMN1; SMN2 (0.64) KDM4EL3MBTL1SMN1; SMN2HTTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414125-A Epoxy resin curing agent THE DOW CHEMICAL COMPANY (US) 1995-05-09 US disclosed
EP-0579743-A1 DIAMINO-ALPHA-ALKYLSTILBENES THE DOW CHEMICAL COMPANY (US) 1994-01-26 EP disclosed
US-5268434-A Curable composition THE DOW CHEMICAL COMPANY (US) 1993-12-07 US disclosed
US-5264502-A Curable resins for rod like structure for liquid crystals THE DOW CHEMICAL COMPANY (US) 1993-11-23 US disclosed
WO-1992018460-A1 DIAMINO-ALPHA-ALKYLSTILBENES THE DOW CHEMICAL COMPANY (US) 1992-10-29 WO disclosed