SCHEMBL7013053

SCHEMBL7013053

COc1cc(C)nc(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
POLB P06746 3/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A3 Q01959 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3405403 0.90 KDM4E (0.55) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL882663 0.84 CYP1A2 (0.52) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL9461179 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ELMNACYP1A2SMN1; SMN2
SCHEMBL6694248 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL3633436 0.80 SMN1; SMN2 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL12868397 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL31550344 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL5365414 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL9461048 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ELMNACYP1A2SMN1; SMN2
SCHEMBL4595561 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353640-B2 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2003-10-15 EP disclosed
EP-0353640-B1 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1995-04-12 EP disclosed
US-5186736-A Pre- and postemergence HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5053072-A HETEROCYCLIC N-ACYLSULFONAMIDES, AND THEIR USE AS HERBICIDES OR GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
EP-0353640-A2 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators Hoechst Schering AgrEvo GmbH (DE) 1990-02-07 EP disclosed