SCHEMBL17033800

SCHEMBL17033800

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-n4c5ccccc5c5c6cc7c8ccccc8c8ccccc8n7c6ccc54)n3)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
NPY5R Q15761 1/20 0.35
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPP1CA P62136 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MCL1 Q07820 1/20 0.31
AURKA O14965 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 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
SCHEMBL17033798 0.92 DHODH (0.35) DHODHNPY5RMAPTNPSR1CYP1A2
SCHEMBL17033812 0.89 MAPT (0.34) DHODHMAPTNPSR1KMT2ATSHR
SCHEMBL17033784 0.88 L3MBTL1 (0.35) MAPTNPSR1KMT2ATSHRMAPK1
SCHEMBL17033864 0.88 DHODH (0.36) DHODHNPY5RTSHRMAPK1HSD17B10
SCHEMBL17033508 0.88 NPY5R (0.40) DHODHNPY5RMAPTNPSR1CYP1A2
SCHEMBL17033750 0.87 DHODH (0.38) DHODHNPY5RMAPTNPSR1CYP1A2
SCHEMBL17033824 0.86 MAPK1 (0.41) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL17033786 0.86 GRM5 (0.34) NPY5RMAPTTSHRMAPK1HSD17B10
SCHEMBL17033850 0.84 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17033420 0.84 NPY5R (0.39) DHODHNPY5RMAPTNPSR1CYP1A2

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