SCHEMBL8626602

SCHEMBL8626602

CCOc1cc(Cl)nc(-c2ccccc2NC(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 7/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 5/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL8628976 0.92 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL8628972 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL8627862 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL8627986 0.85 MRGPRX1 (0.40) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL8634470 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL8629851 0.82 KMT2A (0.60) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8631751 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL8631357 0.79 KMT2A (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL5193130 0.78 MAPT (0.48) ALDH1A1KDM4ECYP1A2MAPTLMNA
SCHEMBL8632963 0.78 KMT2A (0.42) ALDH1A1KDM4EHPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 EP disclosed