SCHEMBL25568103

SCHEMBL25568103

Clc1ccc2c(c1)sc1cccc(-c3ccc(-c4ccccc4)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LIMK1 P53667 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
BCKDK O14874 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAP4K4 O95819 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CYP2A6 P11509 1/20 0.34
SLC9A1 P19634 2/20 0.34
MAPK1 P28482 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL24777874 0.97 F9 (0.42) F9CYP1A2KDM4ELIMK1RXFP1
SCHEMBL25567803 0.93 KDM4E (0.38) F9CYP1A2KDM4ELIMK1RXFP1
SCHEMBL24969282 0.93 CYP1A2 (0.43) F9CYP1A2KDM4ELIMK1MEN1
SCHEMBL25568021 0.91 F9 (0.40) F9KDM4ELIMK1RXFP1BCKDK
SCHEMBL24778315 0.88 KDM4E (0.49) F9CYP1A2KDM4ELIMK1RXFP1
SCHEMBL25893637 0.87 KDM4E (0.35) F9KDM4ELIMK1RXFP1BCKDK
SCHEMBL25646298 0.85 F9 (0.42) F9LIMK1MCL1MEN1KMT2A
SCHEMBL22045662 0.85 KDM4E (0.51) F9CYP1A2KDM4ELIMK1RXFP1
SCHEMBL25646297 0.85 F9 (0.42) F9LIMK1MCL1MEN1KMT2A
SCHEMBL24969759 0.84 CYP1A2 (0.43) F9CYP1A2KDM4ELIMK1MEN1

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
WO-2023096209-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-06-01 WO disclosed