SCHEMBL15930446

SCHEMBL15930446

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
PTGER4 P35408 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34

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
SCHEMBL15930416 0.96 ESR1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15930445 0.95 ESR1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15930324 0.94 ESR1 (0.48) ESR1ESR2MEN1KMT2AGAA
SCHEMBL802020 0.93 ESR1 (0.45) ESR1ESR2MEN1KMT2AGAA
SCHEMBL14769556 0.92 ESR1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL17642984 0.92 MEN1 (0.53) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL15930410 0.91 ESR1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL14849715 0.91 ESR1 (0.51) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2603510 0.90 ESR1 (0.48) ESR1ESR2MEN1KMT2AGAA
SCHEMBL14849844 0.90 ESR1 (0.47) ESR1ESR2GAAALDH1A1LMNA

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-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed