SCHEMBL4033423

SCHEMBL4033423

N#Cc1cc(NCc2ccncc2)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 13/20 0.40
GABRA2 P47869 10/20 0.40
GABRB2 P47870 10/20 0.40
GABRP O00591 7/20 0.40
GABRD O14764 7/20 0.40
GABRA1 P14867 7/20 0.40
GABRB1 P18505 7/20 0.40
GABRG2 P18507 7/20 0.40
GABRA5 P31644 7/20 0.40
GABRA3 P34903 7/20 0.40
GABRA4 P48169 7/20 0.40
GABRE P78334 7/20 0.40
GABRA6 Q16445 7/20 0.40
GABRG1 Q8N1C3 7/20 0.40
GABRG3 Q99928 7/20 0.40
GABRQ Q9UN88 7/20 0.40
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5220202 0.83 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4852573 0.82 RAB9A (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14209955 0.77 GABRP (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4039283 0.77 GABRP (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4854540 0.76 GABRP (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL28073555 0.76 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2001797 0.74 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL20577971 0.74 BACE1 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7713408 0.73 BACE1 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7089578 0.73 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD

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-0976737-B1 PYRAZOLE DERIVATIVES, PROCESS FOR PREPARING THE SAME, INTERMEDIATES, AND PEST CONTROL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT NIHON NOHYAKU CO LTD (JP) 2009-06-10 EP disclosed
US-6335357-B1 1-ARYL-3-CYANO-5-(HET)ARYLALKYLAMINOPYRAZOLE DERIVATIVES; INSECTICIDES FOR AGRICULTURE AND HORTICULTURE MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-01 US disclosed
EP-0976737-A1 PYRAZOLE DERIVATIVES, PROCESS FOR PREPARING THE SAME, INTERMEDIATES, AND PEST CONTROL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI CHEMICAL CORPORATION (JP) 2000-02-02 EP disclosed