SCHEMBL17033727

SCHEMBL17033727

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccccn6)cc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
DHODH Q02127 1/20 0.34
NPY5R Q15761 1/20 0.34
GRM5 P41594 7/20 0.34
MCL1 Q07820 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
DHFR P00374 2/20 0.32
GLA P06280 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL17033745 0.95 HTR1A (0.35) HTR1AHTR7DHODHNPY5RGRM5
SCHEMBL17033725 0.91 MEN1 (0.34) NPY5RKDM4EMEN1ALDH1A1LMNA
SCHEMBL17033749 0.90 KDM4E (0.36) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL17033417 0.89 HTR1A (0.42) HTR1AHTR7GRM5MCL1DHFR
SCHEMBL17033435 0.89 KMT2A (0.37) TSHRMAPK1HSD17B10KDM4EMEN1
SCHEMBL17033769 0.88 DHODH (0.37) DHODHNPY5RMCL1TSHRMAPK1
SCHEMBL17033768 0.86 NPY5R (0.37) DHODHNPY5RGRM5MCL1TSHR
SCHEMBL17033743 0.85 PTGER4 (0.33) NPY5RKDM4EMEN1KMT2A
SCHEMBL17033869 0.84 KMT2A (0.40) GRM5KDM4EMEN1MAPTKMT2A
SCHEMBL17033445 0.84 MCL1 (0.35) HTR1AHTR7NPY5RGRM5MCL1

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed