SCHEMBL4557464

SCHEMBL4557464

COc1ccc2nc3c(C)cc(NCCOC(C)=O)c([N+](=O)[O-])c3cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
POLB P06746 4/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 7/20 0.43
NPSR1 Q6W5P4 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
MITF O75030 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
OPRK1 P41145 1/20 0.43
TLR9 Q9NR96 1/20 0.43
AGTR1 P30556 3/20 0.42
NTSR1 P30989 1/20 0.42
ALDH1A1 P00352 10/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
KDM4E B2RXH2 6/20 0.41
PKM P14618 2/20 0.41
RECQL P46063 2/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL4557465 0.81 CDK5 (0.37) MAPTPOLBLMNAHPGDNPSR1
SCHEMBL2919819 0.74 NUDT1 (0.43) MAPTLMNAHPGDNPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL7519436 0.72 MAPT (0.47) MAPTPOLBLMNAHPGDNPSR1
SCHEMBL7199031 0.70 PIM1 (0.42) MAPTLMNASMN1; SMN2HTTL3MBTL1
SCHEMBL7717111 0.68 KDM4E (0.47) MAPTPOLBLMNAHPGDNPSR1
SCHEMBL7643951 0.65 PIM1 (0.42) MAPTPOLBLMNAHPGDSMN1; SMN2
SCHEMBL13436799 0.64 MAPT (0.70) MAPTPOLBLMNAHPGDNPSR1
SCHEMBL28785698 0.63 MAPT (0.46) MAPTPOLBLMNAHPGDNPSR1
SCHEMBL2915128 0.62 CHRM2 (0.48) MAPTPOLBLMNAHPGDNPSR1
Hydrochloric Acid SCHEMBL7519432 0.62 KMT2A (0.36) MAPTPOLBLMNASMN1; SMN2HTT

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-7622478-B2 1-nitroacridine/tumor inhibitor compositions TIWARI RAJ 2009-11-24 US claimed