SCHEMBL7435983

SCHEMBL7435983

CCn1cc(C(N)=NO)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
GFER P55789 1/20 0.63
MAPT P10636 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
HTT P42858 1/20 0.60
NR4A2 P43354 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.51
BRCA1 P38398 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
PADI4 Q9UM07 1/20 0.46
IDO1 P14902 1/20 0.46
CNR1 P21554 1/20 0.43

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
SCHEMBL28070206 0.81 NR4A2 (0.68) ALDH1A1LMNANR4A2SMN1; SMN2KMT2A
SCHEMBL7267001 0.79 SMN1; SMN2 (0.57) GAAGFERMAPTALDH1A1LMNA
SCHEMBL16979075 0.78 KMT2A (0.75) ALDH1A1LMNANR4A2SMN1; SMN2KMT2A
SCHEMBL980722 0.77 GAA (0.56) GAAGFERMAPTALDH1A1LMNA
SCHEMBL14159256 0.77 NR4A2 (0.71) ALDH1A1LMNANR4A2SMN1; SMN2KMT2A
SCHEMBL30373303 0.76 NR4A2 (0.69) MAPTALDH1A1LMNANR4A2SMN1; SMN2
SCHEMBL2429622 0.76 NR4A2 (0.69) MAPTALDH1A1LMNANR4A2SMN1; SMN2
SCHEMBL13564517 0.76 NR4A2 (0.69) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3058391 0.74 NR4A2 (0.68) GAAALDH1A1LMNANR4A2SMN1; SMN2
SCHEMBL1538812 0.73 NR4A2 (0.66) ALDH1A1LMNANR4A2SMN1; SMN2KMT2A

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
US-5492919-A IRRITABLE BOWEL DISORDER SMITHKLINE BEECHAM P.L.C. (GB) 1996-02-20 US disclosed
WO-1993002677-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-02-18 WO disclosed