SCHEMBL3958744

SCHEMBL3958744

CC(C)Nc1ccccc1Nc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.52
ABCB1 P08183 6/20 0.52
ABCC1 P33527 1/20 0.52
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CTSK P43235 1/20 0.43
MMP2 P08253 1/20 0.40
EGFR P00533 1/20 0.39

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
SCHEMBL16645321 0.81 ABCG2 (0.49) ABCG2ABCB1ABCC1ALDH1A1TDP1
SCHEMBL2563728 0.81 ALDH1A1 (0.54) ABCG2ABCB1ALDH1A1TDP1LMNA
SCHEMBL29379826 0.80 ALDH1A1 (0.63) ALDH1A1TDP1LMNACYP3A4THRB
SCHEMBL775014 0.80 ALDH1A1 (0.63) ALDH1A1TDP1LMNACYP3A4THRB
SCHEMBL7522122 0.78 MMP2 (0.55) ABCG2ABCB1ABCC1ALDH1A1TDP1
SCHEMBL21336895 0.77 STAT3 (0.48) ABCG2ABCB1ABCC1ALDH1A1TDP1
SCHEMBL16481161 0.75 KDM4E (0.49) ABCG2ABCB1ALDH1A1LMNATSHR
SCHEMBL20829078 0.74 KDM4E (0.47) ABCG2ABCB1ABCC1ALDH1A1TSHR
SCHEMBL5901016 0.74 GAA (0.65) ABCG2ABCB1ALDH1A1TDP1LMNA
SCHEMBL16481462 0.74 KDM4E (0.47) ABCG2ABCB1ABCC1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819717-B1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2009-07-08 EP disclosed
EP-1819717-A2 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2006056418-A2 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF AKTIENGESELLSCHAFT (DE) 2006-06-01 WO disclosed