SCHEMBL9912978

SCHEMBL9912978

Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2n3-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
TP53 P04637 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL9912898 0.96 TP53 (0.35) TP53SIGMAR1KDM4EATML3MBTL1
SCHEMBL9912974 0.94 SIGMAR1 (0.36) APPTP53SIGMAR1KDM4EATM
SCHEMBL9912975 0.94 SIGMAR1 (0.36) APPTP53SIGMAR1KDM4EATM
SCHEMBL9913014 0.94 L3MBTL1 (0.38) APPSIGMAR1KDM4EATML3MBTL1
SCHEMBL9912965 0.94 L3MBTL1 (0.38) APPSIGMAR1KDM4EATML3MBTL1
SCHEMBL9912972 0.94 L3MBTL1 (0.38) APPSIGMAR1KDM4EATML3MBTL1
SCHEMBL9912864 0.93 L3MBTL1 (0.39) APPSIGMAR1KDM4EATML3MBTL1
SCHEMBL9912910 0.92 SIGMAR1 (0.37) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL9912918 0.92 SIGMAR1 (0.34) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL15504022 0.91 CYP1A2 (0.38) TP53SIGMAR1KDM4EATML3MBTL1

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-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed