SCHEMBL9912958

SCHEMBL9912958

Cc1cccc(N(c2cccc(C)c2)c2cc(N(c3cccc(C)c3)c3cccc(C)c3)cc(-n3c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4c4cc(N(c5cccc(C)c5)c5cccc(C)c5)ccc43)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
USP2 O75604 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
PKM P14618 1/20 0.31
EGFR P00533 2/20 0.31
CSF1R P07333 2/20 0.31
ELANE P08246 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
NSD2 O96028 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL9912944 0.96 ALDH1A1 (0.34) USP2ALDH1A1HPGDALOX15KDM4E
SCHEMBL9912939 0.92 TDP1 (0.35) ACHEALDH1A1HPGDTDP1HTR7
SCHEMBL9912949 0.91 TDP1 (0.38) MAPTSIGMAR1MEN1NPC1RAB9A
SCHEMBL9912874 0.89 POLB (0.34) ACHEALDH1A1HPGDKDM4EMAPT
SCHEMBL9912920 0.88 SMN1; SMN2 (0.37) ALDH1A1HPGDKDM4EMAPTPKM
SCHEMBL15595174 0.88 APP (0.36) ACHEALDH1A1HPGDALOX15KDM4E
SCHEMBL9912964 0.87 KDM4E (0.37) ALDH1A1HPGDALOX15KDM4EMAPT
SCHEMBL9912945 0.87 APP (0.37) ACHEALDH1A1HPGDALOX15KDM4E
SCHEMBL9912892 0.87 KDM4E (0.37) ALDH1A1HPGDALOX15KDM4EMAPT
SCHEMBL9912968 0.87 KDM4E (0.37) ALDH1A1HPGDALOX15KDM4EMAPT

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