SCHEMBL9527645

SCHEMBL9527645

O=C(O)CNc1ccnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
GABRB3 P28472 14/20 0.41
GABRA2 P47869 9/20 0.41
GABRB2 P47870 9/20 0.41
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 0.41
GABRG3 Q99928 4/20 0.41
GABRQ Q9UN88 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL10411191 0.86 BACE1 (0.39) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL10372959 0.81 BACE1 (0.43) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL9822782 0.81 GABRB3 (0.45) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL9526983 0.78 BACE1 (0.41) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL10560567 0.78 SMN1; SMN2 (0.43) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL10800915 0.77 GABRB3 (0.43) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL10520101 0.77 OXTR (0.43) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL10519709 0.76 OXTR (0.47) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL5212709 0.75 VNN1 (0.45) BACE1GABRB3GABRA2GABRB2GABRP
SCHEMBL10400135 0.75 BACE1 (0.42) BACE1GABRB3GABRA2GABRB2GABRP

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-0392241-B1 SUBSTITUTED 1-ARYLPYRAZOLS BAYER AG (DE) 1993-06-02 EP disclosed
US-4971989-A PESTICIDES, MITICIDES, INSECTICIDES AND NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-11-20 US disclosed
EP-0392241-A1 Substituted 1-Arylpyrazols BAYER AG (DE) 1990-10-17 EP disclosed