SCHEMBL29670220

SCHEMBL29670220

Cc1cc(C(N)=O)c(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
PIK3CB P42338 1/20 0.43
NNMT P40261 3/20 0.42
PARP1 P09874 2/20 0.39
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DGAT1 O75907 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
ROCK2 O75116 1/20 0.37
UHRF1 Q96T88 1/20 0.36
HTT P42858 1/20 0.36
CDC7 O00311 1/20 0.36
LMNA P02545 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL23672380 0.85 NNMT (0.46) PIK3CBNNMTPARP1SIRT3TDP1
SCHEMBL2027879 0.82 KDM4E (0.63) KDM4EASPHKDM8KCNQ3KCNQ2
SCHEMBL14864589 0.82 KDM4E (0.44) KDM4EASPHKDM8TDP1UHRF1
SCHEMBL31320114 0.82 KDM4E (0.63) KDM4EASPHKDM8KCNQ3KCNQ2
SCHEMBL17275841 0.81 KDM4E (0.43) KDM4EASPHKDM8UHRF1KCNQ3
SCHEMBL30637389 0.80 P2RX7 (0.44) KDM4EASPHKDM8TDP1HTT
SCHEMBL11414590 0.80 PARP1 (0.40) KDM4EASPHKDM8NNMTPARP1
SCHEMBL31337711 0.80 KDM4E (0.46) KDM4EASPHKDM8NNMTPARP1
SCHEMBL24724391 0.80 KDM4E (0.46) KDM4EASPHKDM8NNMTPARP1
SCHEMBL24662962 0.78 UHRF1 (0.52) PIK3CBNNMTPARP1SIRT3TDP1

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-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed