SCHEMBL9873218

SCHEMBL9873218

COc1cc(NC(=O)OCc2ccccc2)c(Cl)cc1C(=O)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD4 P21917 9/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD3 P35462 4/20 0.41
DRD2 P14416 3/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8711005 0.82 POLB (0.60) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL9872943 0.81 POLB (0.71) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL8708189 0.80 POLB (0.57) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL9459218 0.79 LRRK2 (0.44) DRD4DRD3DRD2HTT
Imidazole SCHEMBL9873212 0.78 POLB (0.48) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL3028929 0.75 NPC1 (0.54) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL7706502 0.72 GAA (0.55) RAB9AALDH1A1CYP1A2CYP2C9LMNA
SCHEMBL8710426 0.71 NPC1 (0.52) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL9872897 0.71 POLB (0.49) POLBDRD4DRD3DRD2
SCHEMBL9872901 0.71 POLB (0.49) POLBDRD4DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017582-A Analgesics SANDOZ LTD. (CH) 1991-05-21 US disclosed
US-4910207-A Antipsychotic agent NOVARTIS AG (CH) 1990-03-20 US disclosed
US-4803199-A SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS NOVARTIS AG (CH) 1989-02-07 US disclosed