SCHEMBL8548846

SCHEMBL8548846

O=C(c1ncc[nH]1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CTSD P07339 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MET P08581 1/20 0.43
HPGD P15428 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
SCHEMBL27805818 0.82 KMT2A (0.77) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL975117 0.77 ALDH1A1 (0.68) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL11903255 0.76 ALDH1A1 (0.54) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL2450877 0.76 KMT2A (0.69) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL11823577 0.76 MAPT (0.43) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL395690 0.75 KMT2A (0.67) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL653632 0.75 KMT2A (0.67) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL28358852 0.75 KMT2A (0.67) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL3462830 0.75 KMT2A (0.67) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL7507126 0.74 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2HTTALDH1A1

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
EP-0715624-B1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMA CO LTD (JP) 1998-04-08 EP disclosed
US-5728829-A MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION FERRING-RESEARCH LIMITED (GB) 1998-03-17 US disclosed
CN-1129442-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-08-21 CN disclosed
EP-0715624-A1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO disclosed