SCHEMBL6986066

SCHEMBL6986066

Cc1c(C(=O)O)ccc2snnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3739493 0.75 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9HSD17B10MAPT
SCHEMBL6979351 0.73
SCHEMBL7249951 0.72 MCL1 (0.37) ALDH1A1CYP1A2GABRPGABRDGABRA1
SCHEMBL6982298 0.72 KDM4E (0.42) ALDH1A1CYP1A2GABRPGABRDGABRA1
SCHEMBL7159408 0.72 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6984166 0.70 MAPT (0.44) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL31389208 0.70 CYP1A2 (0.58) ALDH1A1CYP1A2GABRPGABRDGABRA1
SCHEMBL128319 0.70 CYP1A2 (0.58) ALDH1A1CYP1A2GABRPGABRDGABRA1
SCHEMBL10589742 0.69 DPP4 (0.44) THRBALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL6979290 0.68 MAPT (0.49) ALDH1A1HSD17B10MAPTKDM4ETP53

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
EP-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
EP-1177194-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068228-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed