SCHEMBL5654440

SCHEMBL5654440

O=C(Nc1ncc([N+](=O)[O-])cn1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX15 P16050 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
SCHEMBL5653762 0.98 NAMPT (0.51) NAMPTATMRXFP1SMN1; SMN2MEN1
SCHEMBL13702044 0.83 SMN1; SMN2 (0.64) NAMPTATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5651294 0.78 HDAC3 (0.50) SMN1; SMN2MEN1KMT2APTPN1PTPN2
SCHEMBL5650768 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2APTPN1PTPN2
SCHEMBL28649332 0.76 NAMPT (0.85) NAMPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL17963904 0.74 GAA (0.47) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4439106 0.74 NAMPT (0.88) NAMPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL31241104 0.73 ADORA1 (0.47) RXFP1SMN1; SMN2KMT2APTPN1PTPN2
SCHEMBL27947891 0.73 MAPT (0.56) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL944219 0.73 CYP1A2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1HPGD

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