SCHEMBL5356306

SCHEMBL5356306

O=C(NCC1CCCO1)c1ccc2ncc3nncn3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 10/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
PSMD14 O00487 1/20 0.48
STAMBP O95630 1/20 0.48
COPS5 Q92905 1/20 0.48
ATM Q13315 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
SCHEMBL5352150 0.76 ALDH1A1 (0.55) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5358234 0.75 LMNA (0.48) KMT2AMEN1HPGDCYP1A2CYP2C9
SCHEMBL5364346 0.73 TP53 (0.52) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL5358019 0.72 FGFR1 (0.49) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL30265332 0.72 QPCT (0.64) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL31744961 0.71 FGFR1 (0.40) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL13210604 0.70 KMT2A (0.72) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL280094 0.69 KMT2A (0.71) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL13450229 0.69 KMT2A (0.71) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL5422109 0.69 KMT2A (0.71) KMT2AMEN1HPGDALDH1A1RAB9A

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