SCHEMBL22920835

SCHEMBL22920835

CC1(C)c2cc(Cl)ccc2-c2ccc3c(sc4ccccc43)c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 1/20 0.37
MAPT P10636 5/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PARP14 Q460N5 1/20 0.35
TP53 P04637 2/20 0.34
PDK2 Q15119 2/20 0.34
GPR3 P46089 1/20 0.33
ALK Q9UM73 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 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
SCHEMBL22920953 0.91 KDM4E (0.38) KDM4EALOX5MAPTRXFP1PARP14
SCHEMBL17694784 0.85 PARP14 (0.42) KDM4EALOX5MAPTPARP14GPR3
SCHEMBL22920940 0.84 LIMK1 (0.36) KDM4EALOX5RXFP1PDK2CA1
SCHEMBL10108824 0.83 KDM4E (0.38) KDM4EALOX5MAPTRXFP1PARP14
SCHEMBL30761905 0.83 KDM4E (0.38) KDM4EALOX5MAPTRXFP1PARP14
SCHEMBL18732424 0.81 ALOX5 (0.38) KDM4EALOX5MAPTRXFP1PARP14
SCHEMBL23593056 0.80 KDM4E (0.41) KDM4EMAPTRXFP1TP53PDK2
SCHEMBL17944761 0.79 ALOX5 (0.39) ALOX5MAPTPARP14PDK2ALK
SCHEMBL18268630 0.79 ALOX5 (0.39) ALOX5MAPTPARP14ALK
SCHEMBL22920830 0.78 KDM4E (0.43) KDM4EMAPTRXFP1PDK2GPR3

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-2021015555-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-01-28 WO disclosed