SCHEMBL30855342

SCHEMBL30855342

Cc1ncccc1Nc1cccnc1C.[Cu]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK10 P53779 2/20 0.41
GFER P55789 1/20 0.41
P2RX7 Q99572 1/20 0.41
PTGS2 P35354 1/20 0.40
NMT1 P30419 1/20 0.40
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
GLO1 Q04760 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL145899 0.98 KMT2A (0.43) KMT2AMEN1MAPK10GFERP2RX7
SCHEMBL4143510 0.95 KMT2A (0.41) KMT2AMEN1MAPK10GFERP2RX7
SCHEMBL15227141 0.95 KMT2A (0.41) KMT2AMEN1MAPK10GFERP2RX7
SCHEMBL28734979 0.87 MAPK10 (0.51) KMT2AMEN1MAPK10PTGS2HTT
Alcohol SCHEMBL4977550 0.87 P2RX7 (0.44) KMT2AMEN1MAPK10GFERP2RX7
Acetic Acid SCHEMBL19585268 0.86 P2RX7 (0.47) KMT2AMEN1P2RX7PTGS2HTT
SCHEMBL10868031 0.84 HTT (0.44) KMT2AMEN1HTTALOX15GLO1
SCHEMBL29581676 0.84 MAPT (0.50) KMT2AMEN1MAPK10HTTALOX15
SCHEMBL8263591 0.83 GAA (0.47) KMT2AMEN1MAPK10GFERPTGS2
SCHEMBL5771649 0.81 MAPK10 (0.70) KMT2AMEN1MAPK10GFERALDH1A1

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-11986597-B2 Nitric oxide generating systems for inhalation NOTA Laboratories, LLC (US) 2024-05-21 US disclosed