SCHEMBL21393356

SCHEMBL21393356

C=CCn1c(=O)n(O)c2nc(N)[nH]c(=O)c21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PNP P00491 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.38
USP2 O75604 1/20 0.38
TK1 P04183 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
MAPK1 P28482 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
SCHEMBL18758928 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL8668367 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL8668035 0.79 PNP (0.53) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL8667603 0.77 PNP (0.60) MEN1KMT2AALDH1A1LMNAPNP
SCHEMBL8668254 0.76 PNP (0.59) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL3503364 0.74 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL22356561 0.73 MEN1 (0.76) MEN1KMT2AALDH1A1TLR7PNP
SCHEMBL8673354 0.73 MEN1 (0.62) MEN1KMT2AALDH1A1TLR7PNP
SCHEMBL8673356 0.73 MEN1 (0.62) MEN1KMT2AALDH1A1TLR7PNP
Loxoribine SCHEMBL24635226 0.72 MEN1 (1.00) MEN1KMT2ALMNATLR7PNP

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
WO-2019183216-A1 COMPOSITIONS AND METHODS FOR CANCER TREATMENT DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-26 WO disclosed