SCHEMBL3658112

SCHEMBL3658112

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NNMT P40261 3/20 0.42
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MYC P01106 1/20 0.40
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SIRT6 Q8N6T7 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 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
SCHEMBL30539297 0.81 TDP1 (0.53) POLBTDP1NNMTKDM4EL3MBTL1
SCHEMBL1905326 0.81 TDP1 (0.53) POLBTDP1NNMTKDM4EL3MBTL1
SCHEMBL3650280 0.79 TDP1 (0.47) POLBTDP1NNMTKDM4EL3MBTL1
SCHEMBL3574275 0.77 TDP1 (0.41) POLBTDP1NNMTKDM4EL3MBTL1
SCHEMBL30886668 0.75 ALDH1A1 (0.43) POLBTDP1KDM4EALDH1A1KMT2A
SCHEMBL104257 0.75 ALDH1A1 (0.43) POLBTDP1KDM4EALDH1A1KMT2A
SCHEMBL29774203 0.74 NNMT (0.56) POLBTDP1NNMTKDM4ELMNA
SCHEMBL3655613 0.74 ALDH1A1 (0.42) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL18998283 0.72 ALDH1A1 (0.41) TDP1LMNAALDH1A1MYCKMT2A
SCHEMBL21819468 0.72 SMN1; SMN2 (0.45) POLBTDP1KDM4EL3MBTL1LMNA

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 3 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 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