SCHEMBL17990890

SCHEMBL17990890

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc6ccc7c8ccccc8sc7c6cc54)cc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC4 P56524 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ AKR1C4 P17516 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL18553290 0.98 KDM4E (0.40) KDM4EATML3MBTL1HDAC4TNKS
SCHEMBL17990899 0.95 KDM4E (0.38) KDM4EATML3MBTL1HDAC4TNKS
SCHEMBL17990821 0.94 KDM4E (0.36) KDM4EATML3MBTL1TNKSTNKS2
SCHEMBL24342378 0.92 ATM (0.41) KDM4EATML3MBTL1TNKSTNKS2
SCHEMBL17990926 0.91 KDM4E (0.36) KDM4EATML3MBTL1HDAC4TNKS
SCHEMBL18553408 0.91 ATM (0.47) KDM4EATML3MBTL1TNKSTNKS2
SCHEMBL18553498 0.91 KDM4E (0.34) KDM4EATML3MBTL1HDAC4TNKS
SCHEMBL17990820 0.90 TNKS (0.36) KDM4EATML3MBTL1TNKSTNKS2
SCHEMBL18553162 0.88 ATM (0.43) KDM4EATML3MBTL1F2F10
SCHEMBL18553405 0.88 ATM (0.43) KDM4EATML3MBTL1F2F10

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
Send feedback