SCHEMBL16369390

SCHEMBL16369390

C1=CCc2nc(-c3ccccc3)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
ASIC3 Q9UHC3 1/20 0.38
ADORA2A P29274 2/20 0.36
AURKA O14965 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PRKACA P17612 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ADORA1 P30542 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP2K3 P46734 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL7096298 0.76 MEN1 (0.43) MEN1KMT2ARAB9AASIC3ADORA2A
SCHEMBL12376476 0.76 MEN1 (0.43) MEN1KMT2ARAB9AASIC3ADORA2A
SCHEMBL3310894 0.73 MEN1 (0.45) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL31598494 0.72 MEN1 (0.44) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL3222113 0.72 RAB9A (0.43) MEN1KMT2ARAB9AASIC3ADORA2A
SCHEMBL13998643 0.69 MEN1 (0.45) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL4207683 0.69 CYP3A4 (0.48) MEN1KMT2ARAB9APDE4B
SCHEMBL3246414 0.69 MEN1 (0.41) MEN1KMT2ARAB9AASIC3ADORA2A
SCHEMBL3236226 0.68 CYP3A4 (0.57) MEN1KMT2ARAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL19664944 0.67 CYP3A4 (0.56) MEN1KMT2ARAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9159937-B2 Heteroleptic light-emitting complexes SOLVAY SA (BE) 2015-10-13 US disclosed
US-20150011764-A1 HETEROLEPTIC LIGHT-EMITTING COMPLEXES SOLVAY SA (BE) 2015-01-08 US disclosed