SCHEMBL19334542

SCHEMBL19334542

Cc1cc(C)n(CC(=O)N/N=C/c2cc([N+](=O)O)ccc2O)n1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.83
LMNA P02545 4/20 0.83
HPGD P15428 4/20 0.83
SMN1; SMN2 Q16637 3/20 0.83
KMT2A Q03164 3/20 0.83
TP53 P04637 1/20 0.83
KDM4E B2RXH2 7/20 0.61
MAPT P10636 5/20 0.61
HTT P42858 4/20 0.60
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.56
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL13402123 0.91 L3MBTL1 (1.00) L3MBTL1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL19334306 0.71 LIG1 (0.83) L3MBTL1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL19334492 0.71 LIG1 (0.62) L3MBTL1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL8292619 0.67 KDM1A (0.67) L3MBTL1LMNASMN1; SMN2KMT2ATP53
SCHEMBL19334337 0.67 KDM4E (0.84) L3MBTL1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL19334395 0.64 KDM4E (0.52) LMNASMN1; SMN2KMT2AKDM4EMAPT
SCHEMBL15457450 0.64 MEN1 (0.77) L3MBTL1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL19298155 0.63 LIG1 (1.00) L3MBTL1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL13401821 0.63 LIG1 (0.75) L3MBTL1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL13401789 0.63 LIG1 (1.00) L3MBTL1LMNAHPGDSMN1; SMN2KMT2A

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