SCHEMBL19622137

SCHEMBL19622137

C=C(/C=C\C=C/C)c1ccccc1NC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ USP2 O75604 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM5A P29375 1/20 0.30
▸ FABP3 P05413 1/20 0.30
▸ FABP4 P15090 1/20 0.30
▸ FABP5 Q01469 1/20 0.30
▸ IDO1 P14902 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
SCHEMBL24971860 0.78 LMNA (0.40) POLBMAPTRECQLMEN1HTT
SCHEMBL20751614 0.77 MAOA (0.39) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL24729127 0.77 KDM4E (0.42) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL24973479 0.76 SIRT2 (0.39) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL12164861 0.76 CES2 (0.39) POLBALDH1A1MAPTHPGDKMT2A
SCHEMBL18830805 0.76 ALDH1A1 (0.38) KDM4EPOLBALDH1A1MAPTHPGD
SCHEMBL25695261 0.75 KDM4E (0.41) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL26324254 0.75 MAPT (0.41) KDM4EALDH1A1MAPTHPGDRECQL
SCHEMBL24972568 0.74 FABP3 (0.42) HTTNPSR1TDP1L3MBTL1FABP3
SCHEMBL20613716 0.73 — —

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
EP-2769982-B1 Deuterated heteroleptic iridium complexes as phosphorescent material in OLEDS UNIVERSAL DISPLAY CORP (US) 2017-11-22 — — EP disclosed
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