SCHEMBL10478129

SCHEMBL10478129

CON=CC(=O)Nc1c([N+](=O)[O-])cnn1-c1c(F)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 3/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL10478125 1.00 TDP1 (0.35) TDP1MAPTPKMSMN1; SMN2GABRP
SCHEMBL10477776 0.95 GABRP (0.38) TDP1MAPTPKMSMN1; SMN2GABRP
SCHEMBL10477777 0.95 GABRP (0.38) TDP1MAPTPKMSMN1; SMN2GABRP
SCHEMBL10477941 0.85 PKM (0.34) MAPTPKMSMN1; SMN2ALDH1A1LMNA
SCHEMBL10400400 0.84 PKM (0.40) TDP1MAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL10477782 0.82 ALDH1A1 (0.36) TDP1MAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL10400917 0.78 PKM (0.42) TDP1MAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL10560650 0.77 MAPK1 (0.40) TDP1MAPTPKMSMN1; SMN2GABRP
SCHEMBL10522944 0.76 GABRB3 (0.41) TDP1PKMGABRPGABRDGABRA1
SCHEMBL10549778 0.75 MAPK1 (0.41) TDP1MAPTPKMSMN1; SMN2GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4799951-A 5-acylamino-pyrazole derivatives, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1989-01-24 US claimed