SCHEMBL5653762

SCHEMBL5653762

O=C(Nc1ncc([N+](=O)[O-])cn1)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5654440 0.98 NAMPT (0.50) NAMPTSMN1; SMN2MEN1KMT2AATM
SCHEMBL13702044 0.81 SMN1; SMN2 (0.64) NAMPTSMN1; SMN2ATMALDH1A1KDM4E
SCHEMBL5650768 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AADORA1ADORA3
SCHEMBL5651294 0.76 HDAC3 (0.50) SMN1; SMN2MEN1KMT2AADORA1ADORA3
SCHEMBL17963904 0.75 GAA (0.47) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4439106 0.75 NAMPT (0.88) NAMPTSMN1; SMN2MEN1KMT2AATM
SCHEMBL31241104 0.74 ADORA1 (0.47) SMN1; SMN2KMT2ARXFP1ADORA1ADORA3
SCHEMBL27947891 0.74 MAPT (0.56) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28649332 0.74 NAMPT (0.85) NAMPTSMN1; SMN2MEN1KMT2AATM
SCHEMBL944219 0.74 CYP1A2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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