SCHEMBL9615380

SCHEMBL9615380

COc1ccc(F)c(OC(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
RAD52 P43351 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
CPS1 P31327 2/20 0.43
PARP1 P09874 2/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL29177221 0.83 PARP10 (0.49) GAAMEN1KMT2AALDH1A1PARP10
SCHEMBL14734821 0.82 CA12 (0.67) CA1CA2CA12CA7CA9
SCHEMBL29177241 0.82 KDM4E (0.49) MAPTALDH1A1PARP10NPC1RAB9A
SCHEMBL29177379 0.82 CYP4F2 (0.39) MEN1KMT2AMAPTPARP10CYP3A4
SCHEMBL27091691 0.80 PIM1 (0.42) GAAKMT2A
SCHEMBL29177239 0.80 KAT6A (0.44) MEN1KMT2AMAPT
SCHEMBL4269240 0.79 ALDH1A1 (0.44) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL28015642 0.78 CES2 (0.45) CA9CA14MEN1KMT2AMAPT
SCHEMBL28950410 0.77 ALDH1A1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL28817170 0.77 L3MBTL1 (0.50) CA1CA2CA12CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4139163-A None JP disclosed
JP-H04139163-A CARBAMIC ACID ESTER DERIVATIVE AND ITS PRODUCTION CHISSO CORP 1992-05-13 JP disclosed