SCHEMBL1755431

SCHEMBL1755431

CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(N)cc4)c3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DUSP3 P51452 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRK1 P41145 1/20 0.34
USP2 O75604 2/20 0.31
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 0.31
PGR P06401 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL17245709 0.92 KDM4E (0.41) DUSP3KDM4EATML3MBTL1PGR
SCHEMBL10014056 0.90 KDM4E (0.45) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL23225656 0.89 PGR (0.41) MAPTSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL10014058 0.89 KDM4E (0.38) DUSP3KDM4EATML3MBTL1PGR
SCHEMBL14928248 0.88 DUSP3 (0.35) HTTDUSP3KDM4EATML3MBTL1
SCHEMBL17245687 0.88 L3MBTL1 (0.37) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL17245662 0.88 DUSP3 (0.35) DUSP3KDM4EATML3MBTL1PGR
SCHEMBL15434266 0.88 KDM4E (0.42) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL18564331 0.87 DUSP3 (0.36) DUSP3KDM4EATML3MBTL1
SCHEMBL18086250 0.86 DUSP3 (0.36) DUSP3KDM4EATML3MBTL1PGR

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
WO-2012050347-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-04-19 WO disclosed