SCHEMBL24303930

SCHEMBL24303930

C=C(/C=C\C)Nc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.49
▸ MEN1 O00255 9/20 0.49
▸ KMT2A Q03164 9/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTPN1 P18031 2/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ NTSR1 P30989 1/20 0.37

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
SCHEMBL27335845 0.89 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL24303178 0.82 MAPT (0.49) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL24303420 0.81 TSHR (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL14016448 0.81 TGM2 (0.45) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL24736926 0.79 MAPT (0.56) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL24318333 0.78 MAPT (0.52) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL24303207 0.77 ACP1 (0.36) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL18517550 0.75 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL21667194 0.74 MGLL (0.54) MEN1KMT2AKDM4EADORA3
SCHEMBL21615031 0.72 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1HPGD

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
US-20220109109-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-04-07 — — US disclosed
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