SCHEMBL17899314

SCHEMBL17899314

c1ccc2c(-c3cnc4c(ccc5cc(-c6cccc7ccccc67)cnc54)c3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
KDM4E B2RXH2 3/20 0.49
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
TNF P01375 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
PARP1 P09874 1/20 0.43
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
CDK5 Q00535 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
SCHEMBL23954399 0.92 CCR1 (0.53) CA12CA9KDM4ECCNT1CCNA2
SCHEMBL13706248 0.91 KDM4E (0.49) CA12CA9KDM4ECCNT1CCNA2
SCHEMBL19794380 0.86 KDM4E (0.42) CA12CA9KDM4ECCNT1CCNA2
SCHEMBL2198777 0.84 PDGFRB (0.60) CA12CA9KDM4EPDGFRBPDGFRA
SCHEMBL30547072 0.84 PDGFRB (0.60) CA12CA9KDM4EPDGFRBPDGFRA
SCHEMBL19933628 0.82 ALDH1A1 (0.40) CA12CA9KDM4EPDGFRBPDGFRA
SCHEMBL17899322 0.80 KDM4E (0.46) CA12CA9KDM4ECCNT1CCNA2
SCHEMBL25850599 0.80 CCR1 (0.48) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL17899281 0.80 CCR1 (0.54) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL12786342 0.79 KDM4E (0.54) CA12CA9KDM4EPDGFRBPDGFRA

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
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed