SCHEMBL16685145

SCHEMBL16685145

O=C1C(=O)c2cnccc2-c2ccncc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.70
MAOB P27338 1/20 0.70
CDC25B P30305 1/20 0.67
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 6/20 0.52
BLM P54132 5/20 0.52
TP53 P04637 3/20 0.52
CYP3A4 P08684 3/20 0.52
CASP1 P29466 3/20 0.52
CASP7 P55210 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 5/20 0.50
RPS6KA3 P51812 1/20 0.43
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL31112247 0.94 MAOA (0.77) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL20618218 0.94 MAOA (0.77) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL19013209 0.91 MAOA (0.87) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL30616365 0.89 MAOA (0.86) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL30956639 0.89 MAOA (0.70) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL8417659 0.89 MAOA (0.86) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL6926901 0.85 MAOA (0.95) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL9269089 0.83 MAOA (0.77) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL29350676 0.82 MAOA (1.00) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL421291 0.82 MAOA (1.00) MAOAMAOBCDC25BSMN1; SMN2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255765-A Spiro nitrogen-containing compound and application thereof 安徽晶凯电子材料有限公司 2024-06-28 CN disclosed
US-10002214-B2 Host materials and ligands for dopants in organic light emitting diodes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-06-19 US disclosed
US-20160232265-A1 HOST MATERIALS AND LIGANDS FOR DOPANTS IN ORGANIC LIGHT EMITTING DIODES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-08-11 US disclosed
WO-2015066244-A1 HOST MATERIALS AND LIGANDS FOR DOPANTS IN ORGANIC LIGHT EMITTING DIODES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-05-07 WO disclosed