SCHEMBL9912985

SCHEMBL9912985

COc1cccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4cccc(OC)c4)ccc2n3-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NTRK1 P04629 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
NTRK2 Q16620 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9912897 0.99 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912969 0.94 KDM4E (0.45) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912970 0.94 KDM4E (0.45) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912908 0.94 KDM4E (0.45) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912925 0.92 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912914 0.91 MTNR1A (0.39) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912935 0.91 KDM4E (0.41) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912953 0.91 MTNR1A (0.42) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9913021 0.91 MTNR1A (0.42) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912907 0.90 CYP1A2 (0.42) KDM4EMAPTHTTCYP1A2CYP2A6

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