SCHEMBL17524740

SCHEMBL17524740

Cc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccccc5c34)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.46
DPP4 P27487 1/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
SLC9A1 P19634 2/20 0.40
GAA P10253 1/20 0.40
RORC P51449 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 3/20 0.38
TP53 P04637 2/20 0.38
ENPP1 P22413 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL24266825 0.89 GPR3 (0.41) MAPTSMN1; SMN2ABCG2KMT2AMEN1
SCHEMBL17252438 0.89 GPR3 (0.41) MAPTSMN1; SMN2ABCG2KMT2AMEN1
SCHEMBL17484049 0.88 L3MBTL1 (0.39) NR1I3DPP4RAB9AMAPTSMN1; SMN2
SCHEMBL22147058 0.88 L3MBTL1 (0.53) DPP4MAPTSMN1; SMN2ABCB1ABCG2
SCHEMBL24266637 0.88 LIMK1 (0.39) MAPTSMN1; SMN2ABCG2KMT2AMEN1
SCHEMBL19802958 0.88 ADORA2A (0.37) MAPTSMN1; SMN2ABCG2SLC9A1TP53
SCHEMBL21148189 0.87 ADORA2A (0.36) MAPTSMN1; SMN2KMT2AMEN1SLC9A1
SCHEMBL21149195 0.87 ADORA2A (0.36) MAPTSMN1; SMN2KMT2AMEN1SLC9A1
SCHEMBL22700329 0.87 F9 (0.38) RAB9AMAPTSMN1; SMN2ABCG2KMT2A
SCHEMBL19802979 0.87 CYP1A2 (0.45) DPP4MAPTSMN1; SMN2KMT2AMEN1

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
WO-2021066397-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-04-08 WO disclosed
WO-2016023608-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-18 WO disclosed