SCHEMBL6715978

SCHEMBL6715978

c1ccc(-n2c3ccc(-c4cccc5cccnc45)cc3c3cc(-c4cccc5cccnc45)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
MMP9 P14780 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40
CCR1 P32246 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL17949595 0.92 BRD4 (0.44) METAP2BRD4KDM4EHTTTSHR
SCHEMBL16785780 0.91 KDM4E (0.43) METAP2BRD4KDM4EHTTTSHR
SCHEMBL20249857 0.88 METAP2 (0.39) METAP2BRD4HTTTSHRMMP9
SCHEMBL19618539 0.85 BRD4 (0.39) METAP2BRD4KDM4EMMP9ATM
SCHEMBL19618536 0.84 TOP1 (0.40) METAP2KDM4EMMP9LMNAMAPT
SCHEMBL16561019 0.84 FABP1 (0.42) METAP2PDE4AFABP1
SCHEMBL20412448 0.84 KDM4E (0.41) METAP2KDM4EHTTTSHRTP53
SCHEMBL17899355 0.84 CCR1 (0.41) KDM4EHTTTSHRMMP9GMNN
SCHEMBL16629751 0.84 HTT (0.35) METAP2KDM4EHTTTSHRMMP9
SCHEMBL16629631 0.83 KDM4E (0.38) METAP2BRD4KDM4EHTTTSHR

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
US-20040247933-A1 Bipolar asymmetric carbazole-based host materials for electrophosphorescent guest-host OLED systems CANON KABUSHIKI KAISHA (JP) 2004-12-09 US disclosed