SCHEMBL10099706

SCHEMBL10099706

Cc1cc(-c2ccccc2[N+](=O)[O-])n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
ALPL P05186 1/20 0.59
HPGD P15428 4/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.57
GAA P10253 3/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
APOBEC3G Q9HC16 1/20 0.52
GFER P55789 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
MGAM O43451 1/20 0.44

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
SCHEMBL10550891 0.81 KMT2A (0.54) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL29444912 0.81 KMT2A (0.58) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL22204537 0.81 KMT2A (0.58) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL1226499 0.77 NPC1 (0.49) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL29444424 0.77 KMT2A (0.56) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL31461711 0.76 MAPT (0.67) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL7457669 0.75 KMT2A (0.62) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL10547080 0.75 CHEK1 (0.49) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL19374774 0.74 NPC1 (0.68) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL10357786 0.74 KMT2A (1.00) KMT2AMAPTMEN1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed