SCHEMBL9709993

SCHEMBL9709993

Cc1cc(NC(=O)OC(C)(C)C)c2ncccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HTT P42858 2/20 0.49
METAP1 P53582 1/20 0.46
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
ATM Q13315 1/20 0.39
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
GALR3 O60755 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL3924829 0.81 HTT (0.75) KMT2AMEN1HTTRAB9ANPC1
SCHEMBL29363113 0.79 TMEM97 (0.49) KMT2AMEN1HTTMETAP1RAB9A
SCHEMBL22556188 0.78 TDP1 (0.61) KMT2AMEN1METAP1RAB9ANPC1
SCHEMBL30668778 0.76 METAP1 (0.56) METAP1RAB9ABRD9NAMPTLMNA
SCHEMBL3243855 0.76 METAP1 (0.56) METAP1RAB9ABRD9NAMPTLMNA
SCHEMBL5809567 0.75 MAPT (0.48) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL29532149 0.75 METAP1 (0.46) KMT2AMEN1HTTMETAP1RAB9A
SCHEMBL116767 0.74 MEN1 (0.65) KMT2AMEN1HTTMETAP1KDM4E
SCHEMBL9709748 0.73 KMT2A (0.56) KMT2AMEN1HTTKDM4ESMN1; SMN2
SCHEMBL10266505 0.73 PRMT5 (0.47) KMT2AMEN1HTTNPC1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed