SCHEMBL15930387

SCHEMBL15930387

CC(C)n1c(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
ALPG P10696 1/20 0.47
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38
PTGER4 P35408 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL15930401 0.87 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDRAB9AKDM4E
SCHEMBL15930307 0.86 ESR1 (0.47) ALDH1A1HSD17B10HPGDRAB9AKDM4E
SCHEMBL15930381 0.86 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDRAB9AKDM4E
SCHEMBL15930510 0.85 ESR1 (0.46) ALDH1A1HSD17B10HPGDRAB9AKDM4E
SCHEMBL15930522 0.85 ESR1 (0.49) ALDH1A1HPGDRAB9AKDM4EMAPT
SCHEMBL15930388 0.85 ESR1 (0.49) ALDH1A1HPGDRAB9AKDM4EMAPT
SCHEMBL15930380 0.85 ESR1 (0.49) ALDH1A1HPGDRAB9AKDM4EMAPT
SCHEMBL15930315 0.85 ESR2 (0.51) ALDH1A1HPGDRAB9AKDM4EMAPT
SCHEMBL15930402 0.84 KDM4E (0.48) ALDH1A1HSD17B10HPGDRAB9AKDM4E
SCHEMBL15930377 0.83 KDM4E (0.48) ALDH1A1HSD17B10HPGDRAB9AKDM4E

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