SCHEMBL13670336

SCHEMBL13670336

COC(=O)Cc1cccnc1Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.54
MEN1 O00255 10/20 0.50
KMT2A Q03164 10/20 0.50
MAPT P10636 7/20 0.50
RAB9A P51151 7/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 4/20 0.49
HTT P42858 3/20 0.49
PKM P14618 2/20 0.46
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.42
LMNA P02545 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
SCHEMBL14604182 0.85 DHODH (0.56) DHODHMEN1KMT2AMAPTRAB9A
SCHEMBL1908379 0.80 DHODH (0.56) DHODHMEN1KMT2AMAPTRAB9A
SCHEMBL11185769 0.79 MAPT (0.41) KMT2AMAPTRAB9AALDH1A1NPSR1
SCHEMBL1375014 0.77 DHODH (0.56) DHODHMEN1KMT2AMAPTRAB9A
SCHEMBL13607458 0.75 HSP90AA1 (0.54) MAPTRAB9AALDH1A1NPSR1NPC1
SCHEMBL22028701 0.75 KDM4E (0.41) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL14678422 0.75 P2RX7 (0.47) KMT2AMAPTRAB9AALDH1A1PKM
SCHEMBL7281512 0.75 DHODH (0.71) DHODHMEN1KMT2AMAPTRAB9A
SCHEMBL9487325 0.74 TDP1 (0.59) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL14156047 0.74 NAPRT (0.43) KMT2AMAPTRAB9AALDH1A1GAA

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
US-7608716-B2 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed