SCHEMBL11790155

SCHEMBL11790155

CCOC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
MAPT P10636 6/20 0.69
MEN1 O00255 5/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 3/20 0.69
ALDH1A1 P00352 3/20 0.69
KCNH2 Q12809 1/20 0.69
MAPK1 P28482 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
PPIA P62937 1/20 0.48

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
SCHEMBL3604286 0.89 KMT2A (0.74) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL26742261 0.84 HTT (0.56) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL5250932 0.83 MEN1 (0.80) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL11763360 0.82 SMN1; SMN2 (0.57) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL11788000 0.82 KMT2A (0.74) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL5249571 0.82 MAPT (1.00) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL5250046 0.82 MEN1 (0.78) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL30892309 0.81 SYK (0.54) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL29218438 0.81 SYK (0.54) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL11833609 0.81 HTT (0.68) KMT2AMAPTMEN1NPC1RAB9A

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
US-3984415-A ANTIINFLAMMATORY, ANTI-ULCERATIVE, ANALGETIC, ANTIPYRETIC, ANTIHISTAMINIC AND CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1976-10-05 US disclosed