SCHEMBL21649863

SCHEMBL21649863

C=Cc1ccc(C)cc1/N=C\C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ TP53 P04637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NQO2 P16083 1/20 0.31
▸ PKM P14618 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL14838175 0.85 KDM4E (0.43) MAPTKDM4ELMNAHTTTP53
SCHEMBL17057334 0.81 MAPT (0.43) MAPTKDM4ELMNAHTTCYP3A4
SCHEMBL26664996 0.78 MAPT (0.41) MAPTKDM4ELMNAHTTTP53
SCHEMBL19017627 0.78 KDM4E (0.41) MAPTKDM4ELMNAHTTTP53
SCHEMBL21298009 0.76 — —
SCHEMBL20726017 0.75 DHODH (0.49) MAPTKDM4ELMNAHTTTP53
SCHEMBL15966239 0.74 ALDH1A1 (0.41) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL23969176 0.72 MAPT (0.53) MAPTKDM4ELMNAHTTTP53
SCHEMBL20663401 0.72 MAPT (0.53) MAPTKDM4ELMNAHTTTP53
SCHEMBL18874808 0.72 MAPT (0.42) MAPTKDM4ELMNAHTTCYP3A4

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-2020023802-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE (US) 2020-01-30 — — WO disclosed
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