SCHEMBL4778477

SCHEMBL4778477

CS(=O)(=O)c1nc(CCCc2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EIF4A1 P60842 4/20 0.43
BPTF Q12830 1/20 0.43
PSD A5PKW4 4/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
S1PR1 P21453 1/20 0.42
SDHB P21912 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4779650 0.81 MAPT (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4774593 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4774611 0.76 LTB4R (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4776747 0.76 PKM (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4776218 0.75 CYP19A1 (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4776675 0.74 HTR7 (0.47) KMT2AALDH1A1MAPTPSDHTT
SCHEMBL4774559 0.74 KMT2A (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4774170 0.73 PKM (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4774514 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4779144 0.72 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed