SCHEMBL8140705

SCHEMBL8140705

COc1ccccc1CN.O=C(O)c1nc2ccncc2s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
NAMPT P43490 1/20 0.44
GLO1 Q04760 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
TSPO P30536 2/20 0.40
OPRK1 P41145 2/20 0.40
CSNK1D P48730 3/20 0.39

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
SCHEMBL7000901 0.80 MAOB (0.72) MAOBNAMPTPOLBLMNAMEN1
SCHEMBL22445943 0.78 NAMPT (0.51) NAMPTMEN1KMT2AKDM4EMAPT
SCHEMBL6994625 0.72 POLB (0.53) MAOBPOLBLMNAMEN1KMT2A
SCHEMBL8132969 0.71 MEN1 (0.46) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL6999604 0.69 MAOB (0.57) MAOBNAMPTPOLBMEN1KMT2A
SCHEMBL3655251 0.68 CHEK1 (0.53) NAMPTKDM4EGAAMAPTALDH1A1
SCHEMBL25482775 0.68 NAMPT (0.44) NAMPTLMNAMAPTALDH1A1
SCHEMBL29633165 0.68 TAAR1 (0.69) LMNAGAAMAPTALDH1A1
SCHEMBL39970 0.68 TAAR1 (0.69) LMNAGAAMAPTALDH1A1
SCHEMBL7015564 0.68 MEN1 (0.60) POLBLMNAMEN1KMT2AKDM4E

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-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP disclosed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO disclosed