SCHEMBL9821773

SCHEMBL9821773

NCC(=O)Nc1ccc(Cl)cc1-c1cc[nH]c1C(=O)c1[nH]ccc1-c1cc(Cl)ccc1NC(=O)CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52

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
SCHEMBL9851289 0.73 MAPT (1.00) L3MBTL1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL1391455 0.73 CA1 (0.65) L3MBTL1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL6226752 0.71 GABRP (0.57) L3MBTL1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL18080781 0.69 MAPT (0.78) L3MBTL1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL11061295 0.68 GABRP (1.00) L3MBTL1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL9686366 0.68 SMN1; SMN2 (0.65) L3MBTL1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL7324248 0.67 GABRP (0.75) L3MBTL1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL2475631 0.65 NPC1 (0.61) L3MBTL1SMN1; SMN2MAPTCA1CA2
Hydrochloric Acid SCHEMBL2990016 0.64 ALDH1A1 (0.59) L3MBTL1SMN1; SMN2MAPTCA1CA2
SCHEMBL11636436 0.64 KDM4E (0.71) SMN1; SMN2KDM4EMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3151324-A None JP disclosed
JP-H03151324-A ANTIVIRAL AGENT F HOFFMANN LA ROCHE AG 1991-06-27 JP disclosed