SCHEMBL5653220

SCHEMBL5653220

CCCCCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
HCAR3 P49019 2/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 5/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
CYP1A2 P05177 1/20 0.51
PKM P14618 1/20 0.50
DPP4 P27487 1/20 0.50
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
RIPK1 Q13546 1/20 0.47
MGLL Q99685 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
SCHEMBL10428096 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HCAR3POLBMAPTRAB9A
SCHEMBL10514450 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HCAR3POLBMAPTRAB9A
SCHEMBL31629193 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HCAR3POLBMAPTRAB9A
SCHEMBL10512551 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HCAR3POLBMAPTRAB9A
SCHEMBL10428227 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HCAR3POLBMAPTRAB9A
SCHEMBL10428305 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HCAR3POLBMAPTRAB9A
SCHEMBL5650522 0.88 SMN1; SMN2 (0.60) SMN1; SMN2HCAR3POLBMAPTRAB9A
SCHEMBL3941650 0.84 SMN1; SMN2 (0.56) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL8365566 0.82 DPP4 (0.58) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL6657510 0.82 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPTRAB9ANPC1

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 5 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
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN 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
US-4001254-A ISOTHIOCYANOPYRIDINE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1977-01-04 US disclosed