SCHEMBL17033768

SCHEMBL17033768

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.37
MCL1 Q07820 6/20 0.35
METAP2 P50579 1/20 0.33
DHODH Q02127 1/20 0.33
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
METAP1 P53582 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPK1 P28482 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
KLF5 Q13887 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
SCHEMBL17033739 0.94 DHODH (0.35) NPY5RMCL1METAP2DHODHRAB9A
SCHEMBL17033769 0.92 DHODH (0.37) NPY5RMCL1METAP2DHODHRAB9A
SCHEMBL17033445 0.92 MCL1 (0.35) NPY5RMCL1METAP2RAB9ASMN1; SMN2
SCHEMBL17033745 0.91 HTR1A (0.35) NPY5RMCL1METAP2DHODHTSHR
SCHEMBL17033741 0.88 TSPO (0.34) NPY5RTSHRHSD17B10KDM4EALDH1A1
SCHEMBL17033775 0.87 MEN1 (0.33) NPY5RTSHRHSD17B10KDM4EALDH1A1
SCHEMBL17033444 0.87 KDM4E (0.33) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL17033750 0.86 DHODH (0.38) NPY5RMCL1METAP2DHODHTSHR
SCHEMBL16303032 0.86 MCL1 (0.39) NPY5RMCL1METAP2DHODHRAB9A
SCHEMBL17033727 0.86 HTR1A (0.35) NPY5RMCL1METAP2DHODHTSHR

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