SCHEMBL2604833

SCHEMBL2604833

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.67
HTT P42858 1/20 0.67
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43

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
SCHEMBL2604820 1.00 MAPK1 (0.67) MAPK1HTTESR1ESR2TSHR
SCHEMBL15964463 0.99 MAPK1 (0.69) MAPK1HTTESR1ESR2TSHR
SCHEMBL14499556 0.95 MAPK1 (0.60) MAPK1HTTESR1ESR2TSHR
SCHEMBL14499555 0.94 MAPK1 (0.58) MAPK1HTTESR1ESR2TSHR
SCHEMBL21392593 0.94 MAPK1 (0.58) MAPK1HTTESR1ESR2TSHR
SCHEMBL24674116 0.94 MAPK1 (0.58) MAPK1HTTESR1ESR2TSHR
SCHEMBL10353294 0.94 MAPK1 (0.58) MAPK1HTTESR1ESR2TSHR
SCHEMBL24674392 0.94 MAPK1 (0.58) MAPK1HTTESR1ESR2TSHR
SCHEMBL24674412 0.94 MAPK1 (0.58) MAPK1HTTESR1ESR2TSHR
SCHEMBL13240697 0.94 MAPK1 (0.58) MAPK1HTTESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120091438-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-04-19 US disclosed
US-20120091438-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-04-19 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed