SCHEMBL25405948

SCHEMBL25405948

COC(=O)c1cc(N)c(F)cc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.53
KDM4E B2RXH2 6/20 0.46
GAA P10253 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
ABL1 P00519 1/20 0.44
NQO2 P16083 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
SOS1 Q07889 1/20 0.40
POLB P06746 1/20 0.39
CGAS Q8N884 1/20 0.39
MAPK1 P28482 1/20 0.38
IKBKB O14920 1/20 0.37

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
SCHEMBL28922445 0.84 CFTR (0.66) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL3529864 0.84 KDM4E (0.50) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL30221910 0.84 KDM4E (0.50) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL38663775 0.81 KDM4E (0.50) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL31470552 0.81 KDM4E (0.50) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL2080318 0.80 KDM4E (0.50) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL29813036 0.80 KDM4E (0.50) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL3528669 0.79 GAA (0.53) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL13814561 0.79 CFTR (0.60) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL21929291 0.79 CFTR (0.56) CFTRKDM4EGAAALDH1A1HSD17B10

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-2023161172-A1 SUBSTITUTED N-BENZOIC ACID URACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 WO disclosed