SCHEMBL8990657

SCHEMBL8990657

COc1ccc(C(C)Nc2nc(O)c(NC(=O)c3ccco3)c(O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 8/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
PKM P14618 2/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 7/20 0.48
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL8990669 0.79 ALDH1A1 (0.50) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8990698 0.72 ALDH1A1 (0.48) KMT2ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL6633618 0.71 KMT2A (0.89) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL655417 0.70 RAB9A (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8990610 0.70 NPC1 (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5691252 0.68 RAB9A (0.71) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5692749 0.68 NPC1 (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5260773 0.67 KMT2A (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28928871 0.67 RAB9A (0.67) MEN1KMT2ARAB9ASMN1; SMN2TP53
SCHEMBL5691055 0.66 RAB9A (0.63) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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-5500428-A Furyl-substituted purines and adenosine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-03-19 US disclosed
US-5300509-A Adenosine antagonists for treating cardiovascular disorders, vasodilation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-05 US disclosed
EP-0544445-A2 Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists ZENECA LIMITED (GB) 1993-06-02 EP disclosed