SCHEMBL7329217

SCHEMBL7329217

O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)cn2ccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.67
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 9/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MCL1 Q07820 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDC7 O00311 2/20 0.39
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GUSB P08236 1/20 0.38

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
SCHEMBL7330999 0.85 TNKS (0.55) TNKSMEN1KMT2AMAPTNPC1
SCHEMBL7336678 0.81 TNKS (0.74) TNKSMAPTALDH1A1GAATNKS2
SCHEMBL7338405 0.81 TNKS (1.00) TNKSMEN1KMT2ACYP1A2MAPT
SCHEMBL7334632 0.81 TNKS (0.74) TNKSTNKS2ADORA2AADORA1
SCHEMBL7332529 0.80 TNKS (0.74) TNKSTNKS2ADORA2AADORA1
SCHEMBL7334732 0.77 TNKS (0.69) TNKSMEN1KMT2AALDH1A1TNKS2
SCHEMBL7337736 0.77 TNKS (0.73) TNKSMEN1KMT2AMAPTTP53
SCHEMBL15286811 0.76 TNKS (0.59) TNKSMEN1KMT2ACYP1A2MAPT
SCHEMBL7327517 0.75 TNKS (0.65) TNKSMEN1KMT2AMAPTNPC1
SCHEMBL7337988 0.74 TNKS (0.64) TNKSMAPTNPC1RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726900-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 1996-08-21 EP disclosed
WO-1995012594-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1995-05-11 WO disclosed