SCHEMBL17033798

SCHEMBL17033798

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)cc4)nc(-n4c5ccccc5c5c6cc7c8ccccc8c8ccccc8n7c6ccc54)n3)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPP1CA P62136 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY5R Q15761 1/20 0.35
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC6A7 Q99884 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
KLF5 Q13887 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
SCHEMBL17033800 0.92 DHODH (0.38) DHODHMAPTNPSR1CYP1A2CYP2C9
SCHEMBL17033786 0.92 GRM5 (0.34) MAPTNPY5RKDM4ETDP1TSHR
SCHEMBL17033845 0.89 NPY5R (0.35) DHODHMAPTNPSR1CYP1A2CYP2C9
SCHEMBL17033514 0.88 NPY5R (0.39) DHODHMAPTNPSR1CYP1A2CYP2C9
SCHEMBL17033739 0.87 DHODH (0.35) DHODHMAPTNPSR1CYP1A2CYP2C9
SCHEMBL17033865 0.86 MEN1 (0.33) MAPTNPSR1KMT2ANPY5RKDM4E
SCHEMBL17033787 0.86 KDM4E (0.33) MAPTNPSR1KMT2AKDM4ETDP1
SCHEMBL17033414 0.85 NPY5R (0.39) DHODHMAPTNPSR1CYP1A2CYP2C9
SCHEMBL17033796 0.84 BMX (0.35) MAPTKMT2AKDM4ETSHRTP53
SCHEMBL17033768 0.81 NPY5R (0.37) DHODHMAPTNPY5RKDM4ETDP1

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