SCHEMBL13488602

SCHEMBL13488602

Cc1[nH]cc(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
PPARG P37231 1/20 0.48
STAT3 P40763 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
LRRK2 Q5S007 1/20 0.42
MAPT P10636 3/20 0.42
MCL1 Q07820 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6469620 0.84 CYP11B2 (0.42) ALDH1A1GAAPIM1
SCHEMBL12456737 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HPGDNPSR1PPARG
SCHEMBL3783457 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL3804832 0.79 LRRK2 (0.42) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL11025377 0.78 MCL1 (0.50) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL10654581 0.69 KDM4E (0.51) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL1905542 0.69 ADORA1 (0.46) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL9219572 0.68 MCL1 (0.42) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL27261149 0.68 GRM5 (0.47) KDM4EALDH1A1HPGDNPSR1LRRK2
SCHEMBL12313417 0.67 MAPT (0.43) KDM4EALDH1A1HPGDNPSR1RXFP1

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-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 US disclosed
US-20100045171-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-25 US disclosed