SCHEMBL19334398

SCHEMBL19334398

Cc1ccccc1NCC(=O)N/N=C/c1cc(N=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
ALDH1A1 P00352 9/20 0.58
HTT P42858 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 5/20 0.52
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
GRK2 P25098 1/20 0.49
POLB P06746 1/20 0.48
KDM4A O75164 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
MAPK1 P28482 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
HPGD P15428 1/20 0.45
LIG1 P18858 2/20 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
SCHEMBL14959214 0.87 MAPT (0.59) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL13401808 0.85 MAPT (0.57) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL13401793 0.80 MEN1 (0.67) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL12648536 0.76 CFTR (0.67) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL19334390 0.75 MEN1 (0.58) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL14082236 0.75 MAPT (0.58) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL16211083 0.72 KDM4E (0.67) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL16211082 0.72 KDM4E (0.67) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL5363022 0.72 MAPT (0.56) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL5363026 0.72 MAPT (0.56) MAPTALDH1A1HTTSMN1; SMN2TDP1

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-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed