SCHEMBL17990872

SCHEMBL17990872

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7ccccc7cc6sc5c43)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
LIMK1 P53667 1/20 0.30

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
SCHEMBL17990946 0.91 KDM4E (0.34) KDM4ELIMK1
SCHEMBL18058047 0.91 HASPIN (0.38)
SCHEMBL18058045 0.91 HASPIN (0.38)
SCHEMBL18058051 0.88 NPC1 (0.33)
SCHEMBL18058046 0.88 NPC1 (0.33)
SCHEMBL30103521 0.88 TNKS (0.34) KDM4ETSHRHSD17B10
SCHEMBL2603639 0.88 TNKS (0.34) KDM4ETSHRHSD17B10
SCHEMBL22249971 0.87 KDM4E (0.35) KDM4E
SCHEMBL15126644 0.87 LIMK1 (0.39) LIMK1
SCHEMBL27324992 0.87 LIMK1 (0.39) LIMK1

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed