SCHEMBL22958670

SCHEMBL22958670

c1ccc(-c2ccc3c(c2)c2cc(-c4cc5c6c(c4)Oc4ccccc4N6c4ccccc4O5)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EDNRA P25101 5/20 0.34
EDNRB P24530 1/20 0.32
AVPR1A P37288 1/20 0.32
P2RX4 Q99571 1/20 0.32
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MGLL Q99685 1/20 0.30
PRKDC P78527 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
SCHEMBL22958661 1.00 ATM (0.35) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL22958706 0.94 L3MBTL1 (0.40) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL22958736 0.94 ATM (0.34) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL22958684 0.94 ATM (0.34) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL12333547 0.94 L3MBTL1 (0.44) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20199987 0.94 KDM4E (0.34) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL19035994 0.92 L3MBTL1 (0.42) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL19009421 0.92 L3MBTL1 (0.42) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL22958756 0.92 L3MBTL1 (0.42) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL19035973 0.92 L3MBTL1 (0.42) ATMKDM4EL3MBTL1EDNRAEDNRB

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-20210043852-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-11 US disclosed