SCHEMBL8160141

SCHEMBL8160141

Nc1nnc(-c2ccc(N3CCCC3)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
GAA P10253 8/20 0.54
ALDH1A1 P00352 7/20 0.54
MGAM O43451 4/20 0.54
SI P14410 4/20 0.54
MGAM2 Q2M2H8 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
NOTUM Q6P988 1/20 0.54
HSD17B10 Q99714 5/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 4/20 0.50
TP53 P04637 3/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL7325194 0.98 GAA (0.53) KDM4EGAAALDH1A1MGAMSI
SCHEMBL7316756 0.87 KDM4E (0.51) KDM4EGAAALDH1A1MGAMSI
SCHEMBL7312437 0.87 KDM4E (0.51) KDM4EGAAALDH1A1MGAMSI
SCHEMBL6132879 0.81 KDM4E (0.43) KDM4EGAAALDH1A1MGAMSI
SCHEMBL8144038 0.80 KDM4E (0.47) KDM4EGAAALDH1A1MGAMSI
SCHEMBL6134446 0.77 KDM4E (0.51) KDM4EGAAALDH1A1MGAMSI
SCHEMBL6134795 0.77 MEN1 (0.49) KDM4EGAAALDH1A1MGAMSI
SCHEMBL6134791 0.77 MEN1 (0.49) KDM4EGAAALDH1A1MGAMSI
SCHEMBL7324936 0.76 ALDH1A1 (0.50) KDM4EGAAALDH1A1MGAMSI
SCHEMBL7324945 0.76 ALDH1A1 (0.50) KDM4EGAAALDH1A1MGAMSI

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
EP-1054876-A1 1,3,4-THIADIAZOLES DERIVATIVES AS KYN-OH INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 2000-11-29 EP disclosed
WO-1999028309-A1 1,3,4-THIADIAZOLES DERIVATIVES AS KYN-OH INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO disclosed