SCHEMBL8559915

SCHEMBL8559915

CCCCc1nnc(NC(=O)c2c[c]ccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
GLA P06280 1/20 0.56
KMT2A Q03164 1/20 0.56
GLS O94925 4/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
DNMT1 P26358 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SRC P12931 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL8132955 0.80 SMN1; SMN2 (0.69) GAAKMT2ARAB9ANPC1POLB
SCHEMBL8554413 0.80 LMNA (0.65) GAAGLAKMT2AGLSRAB9A
SCHEMBL8554412 0.79 NPC1 (0.64) GAAGLAKMT2AGLSRAB9A
SCHEMBL8118503 0.77 MAPT (0.64) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL11250062 0.72 ALDH1A1 (0.80) GAAKMT2AGLSRAB9ANPC1
SCHEMBL24440954 0.71 ALDH1A1 (0.56) GAAGLAKMT2AGLSRAB9A
SCHEMBL8125122 0.71 SMN1; SMN2 (0.60) KMT2ARAB9ANPC1POLBSMN1; SMN2
SCHEMBL8117715 0.71 RAB9A (0.70) KMT2ARAB9ANPC1POLBSMN1; SMN2
SCHEMBL4318844 0.71 SMN1; SMN2 (0.64) GAARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL27806628 0.70 GLS (0.56) GAAGLAKMT2AGLSRAB9A

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-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed