SCHEMBL5364346

SCHEMBL5364346

O=C(NCCc1ccccc1)c1ccc2ncc3nncn3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.47
KDM5A P29375 1/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47

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
SCHEMBL5358234 0.83 LMNA (0.48) TP53MEN1KMT2ALMNAPOLB
SCHEMBL5358019 0.78 FGFR1 (0.49) RAB9ANPC1SMN1; SMN2GAAKDM4E
SCHEMBL5352150 0.78 ALDH1A1 (0.55) ALDH1A1POLBHPGD
SCHEMBL31744961 0.75 FGFR1 (0.40) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL5355346 0.74 LMNA (0.55) TP53SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5356306 0.73 KMT2A (0.54) TP53RAB9ANPC1SMN1; SMN2GAA
SCHEMBL14027512 0.69 ADORA3 (0.76) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL19994540 0.69 L3MBTL1 (0.78) RAB9ASMN1; SMN2HDAC6HDAC1KDM4E
SCHEMBL6842122 0.67 HDAC2 (0.80) TP53RAB9ANPC1SMN1; SMN2HDAC2
SCHEMBL9011235 0.67 RAB9A (0.73) RAB9ANPC1SMN1; SMN2HDAC2HDAC8

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-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed