SCHEMBL20041768

SCHEMBL20041768

c1ccc(-n2c3ccccc3c3cc(-c4ccc5nc6n(c5c4)-c4ccccc4C6)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
PTGER4 P35408 5/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KDR P35968 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL24451920 0.81 EDNRA (0.38) KDM4EL3MBTL1ATMPTGER4LMNA
SCHEMBL24451427 0.79 KDM4E (0.37) KDM4EL3MBTL1ATMPTGER4MAPK1
SCHEMBL24451921 0.78 KDM4E (0.36) KDM4EL3MBTL1ATMPTGER4ALDH1A1
SCHEMBL24451573 0.78 LMNA (0.40) LMNASMN1; SMN2HTTALDH1A1HPGD
SCHEMBL24451456 0.76 EDNRA (0.39) KDM4EL3MBTL1ATMPTGER4LMNA
SCHEMBL18701466 0.76 SMN1; SMN2 (0.33) KDM4ELMNASMN1; SMN2TSHRMAPK14
SCHEMBL24451918 0.76 LMNA (0.43) KDM4EL3MBTL1ATMLMNASMN1; SMN2
SCHEMBL25557692 0.75 L3MBTL1 (0.62) KDM4EL3MBTL1ATMPTGER4MAPK1
SCHEMBL11981026 0.74 L3MBTL1 (0.72) KDM4EL3MBTL1ATMPTGER4MAPK1
SCHEMBL5999723 0.74 L3MBTL1 (0.72) KDM4EL3MBTL1ATMPTGER4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed