SCHEMBL22073992

SCHEMBL22073992

C(=C(/Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccccc1)\c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PTGER4 P35408 1/20 0.37
TSPO P30536 2/20 0.36
DNM1 Q05193 1/20 0.36
PTPN1 P18031 2/20 0.34
HDAC4 P56524 1/20 0.34
FOLH1 Q04609 2/20 0.33
CYP19A1 P11511 4/20 0.33
MAPT P10636 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32

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
SCHEMBL10066623 0.94 L3MBTL1 (0.40) KDM4EATML3MBTL1RXRARXRB
SCHEMBL13753693 0.93 TP53 (0.35) KDM4EATML3MBTL1RXRARXRB
SCHEMBL23666532 0.86 AKR1C4 (0.42) KDM4EATML3MBTL1RXRARXRB
SCHEMBL25113117 0.86 AKR1C4 (0.42) KDM4EATML3MBTL1RXRARXRB
SCHEMBL25113120 0.85 AKR1C4 (0.34) KDM4EATML3MBTL1RXRARXRB
SCHEMBL25056954 0.84 AKR1C4 (0.36) KDM4EATML3MBTL1RXRARXRB
SCHEMBL22540222 0.82 AKR1C4 (0.38) KDM4EATML3MBTL1RXRARXRB
SCHEMBL23620701 0.82 AKR1C4 (0.38) KDM4EATML3MBTL1RXRARXRB
SCHEMBL13557369 0.81
SCHEMBL27275885 0.80 F2 (0.37) KDM4EATML3MBTL1RXRARXRB

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
WO-2020116816-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-06-11 WO disclosed
WO-2020116822-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2020-06-11 WO disclosed