SCHEMBL3650280

SCHEMBL3650280

COc1cc(C(=O)O)c(Cl)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CASP1 P29466 1/20 0.41
PRKAG1 P54619 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NNMT P40261 2/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL1750848 0.85 ALDH1A1 (0.42) TDP1POLBKMT2ACASP1LMNA
SCHEMBL6829056 0.84 CASP1 (0.57) POLBCASP1LMNAALDH1A1NNMT
SCHEMBL28469120 0.80 MAPT (0.47) KMT2ACASP1LMNAALDH1A1KDM4E
SCHEMBL1905326 0.79 TDP1 (0.53) TDP1POLBMEN1USP2PABPC1
SCHEMBL3658112 0.79 POLB (0.44) TDP1POLBMEN1USP2PABPC1
SCHEMBL30539297 0.79 TDP1 (0.53) TDP1POLBMEN1USP2PABPC1
SCHEMBL5955667 0.76 PRKAG1 (0.48) TDP1POLBMEN1USP2PABPC1
SCHEMBL3574275 0.75 TDP1 (0.41) TDP1POLBMEN1USP2PABPC1
SCHEMBL10426645 0.75 POLB (0.45) TDP1POLBMEN1USP2PABPC1
SCHEMBL1713978 0.75 ALDH1A1 (0.46) POLBKEAP1NFE2L2CASP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed