SCHEMBL9822871

SCHEMBL9822871

Nc1ccnn1-c1c(Cl)cc(C(F)(F)F)c(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GABRA2 P47869 7/20 0.35
GABRB2 P47870 7/20 0.35
GABRP O00591 6/20 0.35
GABRD O14764 6/20 0.35
GABRA1 P14867 6/20 0.35
GABRB1 P18505 6/20 0.35
GABRG2 P18507 6/20 0.35
GABRB3 P28472 6/20 0.35
GABRA5 P31644 6/20 0.35
GABRA3 P34903 6/20 0.35
GABRA4 P48169 6/20 0.35
GABRE P78334 6/20 0.35
GABRA6 Q16445 6/20 0.35
GABRG1 Q8N1C3 6/20 0.35
GABRG3 Q99928 6/20 0.35
GABRQ Q9UN88 6/20 0.35
NOTUM Q6P988 3/20 0.35
KDR P35968 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL10389922 0.89 POLB (0.35) POLBGABRA2GABRB2GABRPGABRD
SCHEMBL9458856 0.80 GABRB3 (0.54) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10496963 0.77 POLB (0.37) POLBKDRKDM4E
SCHEMBL10400984 0.75 GABRB3 (0.46) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7086689 0.74 GABRB3 (0.45) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL8182837 0.74 POLB (0.35) POLBNOTUMMAPTKDM4E
SCHEMBL10571060 0.74 KMT2A (0.38) NOTUMKDRKDM4C
SCHEMBL9459015 0.74 KDR (0.51) POLBGABRA2GABRB2GABRPGABRD
SCHEMBL7082414 0.73 MAPT (0.41) POLBGABRA2GABRB2GABRPGABRD
SCHEMBL10772729 0.72 NTRK1 (0.37) NOTUMKDRKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245646-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-5-AMINO-PYRAZOLES BAYER AG (DE) 1991-09-11 EP disclosed
US-4909832-A Plant growth regulator BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
EP-0191282-B1 1-ARYL-4-NITROPYRAZOLES BAYER AG (DE) 1989-10-04 EP disclosed
US-4824960-A Preparation of 1-aryl-5-amino-pyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1989-04-25 US disclosed
US-4808209-A HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4770688-A 5-azido- or 5-phosphoroimido-1-arylpyrazoles, composition containing them, and herbicidal and plant growth regulating methods of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed
US-4764202-A 5-dichloroacetamido-4-nitro-1-aryl-pyrazoles, composition containing them, and herbicidal and plant growth regulating method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
US-4758673-A 1-aryl-5-halopyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4711658-A 5-perfluoroacylamino-4-nitro-1-arylpyrazole salts, plant growth regulating and herbicidal composition containing them, and plant growth regulating and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1987-12-08 US disclosed
EP-0242687-A2 Process for the preparation of 1-aryl-5-amino-pyrazoles BAYER AG (DE) 1987-10-28 EP disclosed
US-4681618-A 1-aryl-5-halo-4-nitopyrazoles, herbicidal compositions containing them, and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1987-07-21 US disclosed
EP-0227946-A1 5-Perfluoroacylamino-4-nitro-1-aryl-pyrazole salts BAYER AG (DE) 1987-07-08 EP disclosed
EP-0226156-A2 1-Aryl-pyrazoles BAYER AG (DE) 1987-06-24 EP disclosed
EP-0226074-A1 5-Fluoroacylamino-4-nitro-1-aryl-pyrazoles BAYER AG (DE) 1987-06-24 EP disclosed
EP-0224831-A2 5-Dichloroacetamido-4-nitro-1-aryl-pyrazoles BAYER AG (DE) 1987-06-10 EP disclosed
EP-0191282-A1 1-Aryl-4-nitropyrazoles BAYER AG (DE) 1986-08-20 EP disclosed