SCHEMBL6027504

SCHEMBL6027504

CCN(C(=O)O)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 7/20 0.47
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
HPGDS O60760 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6027482 0.81 LDHA (0.49) HTTALDH1A1TSHRGLAHPGDS
SCHEMBL27654625 0.78 ALDH1A1 (0.60) HTTALDH1A1TSHRGLASMN1; SMN2
SCHEMBL380050 0.77 ALDH1A1 (0.76) HTTALDH1A1TSHRGLASMN1; SMN2
SCHEMBL28725989 0.75 ALDH1A1 (0.68) HTTALDH1A1TSHRGLASMN1; SMN2
SCHEMBL6027580 0.75 ALDH1A1 (0.44) HTTALDH1A1TSHRGLASMN1; SMN2
Hydrochloric Acid SCHEMBL3454478 0.75 ALDH1A1 (0.73) HTTALDH1A1TSHRGLASMN1; SMN2
SCHEMBL27811431 0.75 ALDH1A1 (0.73) HTTALDH1A1TSHRGLASMN1; SMN2
SCHEMBL6027792 0.73 ALDH1A1 (0.45) HTTALDH1A1TSHRGLASMN1; SMN2
SCHEMBL4763042 0.72 HTT (0.45) HTTALDH1A1TSHRGLATP53
SCHEMBL6671752 0.71 HTT (0.65) HTTALDH1A1TSHRGLATP53

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-1720829-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090292-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed