SCHEMBL23208441

SCHEMBL23208441

CC1(c2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)CC2CCC(C2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
ALOX12 P18054 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
ALOX15 P16050 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GFER P55789 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
RAD52 P43351 1/20 0.42
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGS2 P35354 1/20 0.38
HTR2B P41595 1/20 0.38
HPGD P15428 2/20 0.37

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
SCHEMBL23206848 0.88 MEN1 (0.38) MAPTALDH1A1ALOX12L3MBTL1ALOX15
SCHEMBL22815627 0.86 MAPT (0.40) MAPTALDH1A1ALOX12L3MBTL1ALOX15
SCHEMBL23208444 0.82 MEN1 (0.43) MAPTALDH1A1ALOX12L3MBTL1ALOX15
SCHEMBL24421748 0.78 EPHX2 (0.53) MAPTALDH1A1ALOX12L3MBTL1ALOX15
SCHEMBL22815550 0.78 EPHX2 (0.40) MAPTALDH1A1ALOX12L3MBTL1ALOX15
SCHEMBL25720463 0.76 MEN1 (0.38) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL22161661 0.75 EPHX2 (0.53) MAPTALDH1A1ALOX12L3MBTL1ALOX15
SCHEMBL21670815 0.75 EPHX2 (0.53) MAPTALDH1A1ALOX12L3MBTL1ALOX15
SCHEMBL27394345 0.75 EPHX2 (0.31) EPHX2
SCHEMBL22815488 0.75 HSD11B1 (0.38) MAPTALDH1A1ALOX12L3MBTL1ALOX15

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-2021066435-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2021-04-08 WO disclosed