SCHEMBL5651367

SCHEMBL5651367

CCCCC(=O)Nc1ncc([N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 2/20 0.46
MAPK10 P53779 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ADORA1 P30542 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL31241118 0.78 RAB9A (0.66) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1993637 0.78 DEGS1 (0.64) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5651536 0.78 SMN1; SMN2 (0.51) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL944219 0.76 CYP1A2 (0.63) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7121725 0.76 KMT2A (0.70) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27647737 0.76 MEN1 (0.60) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL12411456 0.75 L3MBTL1 (0.52) LMNAKMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL27427372 0.74 SMN1; SMN2 (0.50) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17963904 0.74 GAA (0.47) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL31241073 0.74 RAB9A (0.65) LMNAKMT2ASMN1; SMN2RAB9AMAPK10

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-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed