SCHEMBL20709491

SCHEMBL20709491

C1=NN(c2cccc(-c3nc(-c4cccc(-n5cccn5)c4)nc(-c4cccc(-n5cccn5)c4)n3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 2/20 0.38
KDM5B Q9UGL1 1/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MPO P05164 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL15021544 0.84 ERCC1 (0.52) ERCC1ERCC4FFAR4LMNAKDM5B
Benzene SCHEMBL28260772 0.82 ERCC1 (0.51) ERCC1ERCC4FFAR4LMNAKDM5B
SCHEMBL26369966 0.77 ERCC1 (0.47) ERCC1ERCC4FFAR4LMNAKDM5B
SCHEMBL15021326 0.77 ERCC1 (0.52) ERCC1ERCC4FFAR4LMNAKDM5B
SCHEMBL12452320 0.75 KDM5B (0.49) ERCC1ERCC4FFAR4LMNAKDM5B
SCHEMBL4611501 0.73 HTR1A (0.47) HTR1AHTR7HRH3
SCHEMBL22522480 0.72 ERCC1 (0.43) ERCC1ERCC4FFAR4LMNAKDM5B
SCHEMBL20930858 0.71 ERCC1 (0.58) ERCC1ERCC4FFAR4LMNAKDM5B
SCHEMBL12452271 0.71 ERCC1 (0.44) ERCC1ERCC4FFAR4LMNAKDM5B
SCHEMBL15021565 0.71 NOTUM (0.50) ERCC1ERCC4FFAR4KDM5BKMT2A

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
EP-3439063-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2019-02-06 EP disclosed