SCHEMBL6930708

SCHEMBL6930708

Cn1c(NO)nc2cc3cccnc3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO1 P00395 1/20 0.45
MT-CO2 P00403 1/20 0.45
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 1/20 0.40
HTT P42858 3/20 0.39
ALOX15 P16050 1/20 0.39
PLK1 P53350 1/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
CASP6 P55212 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL29350099 0.72 NPC1 (0.65) ALDH1A1KDM4ELMNAPDGFRBPDGFRA
SCHEMBL150476 0.72 NPC1 (0.65) ALDH1A1KDM4ELMNAPDGFRBPDGFRA
SCHEMBL83775 0.72 PDE10A (0.48) KDM4ELMNAMAPT
SCHEMBL2546975 0.71 CCR1 (0.50) ALDH1A1KDM4ELMNACASP1CASP7
SCHEMBL18805375 0.70 NPC1 (0.46) ALDH1A1KDM4ELMNAPDGFRBPDGFRA
SCHEMBL9375374 0.69 KDM4E (0.44) ALDH1A1KDM4ELMNAPDGFRBPDGFRA
SCHEMBL13156520 0.68 NPC1 (0.60) ALDH1A1KDM4ELMNAPDGFRBPDGFRA
SCHEMBL12532559 0.68 NPC1 (0.60) ALDH1A1KDM4ELMNAPDGFRBPDGFRA
SCHEMBL13156510 0.68 NPC1 (0.60) ALDH1A1KDM4ELMNAPDGFRBPDGFRA
SCHEMBL18700662 0.68 NPC1 (0.60) ALDH1A1KDM4ELMNAPDGFRBPDGFRA

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-20030078397-A1 Enzymes having glycosidase activity and methods of use thereof BP CORPORATION NORTH AMERICA INC. 2003-04-24 US disclosed