SCHEMBL4774170

SCHEMBL4774170

CN(CCN(C)S(=O)(=O)c1ccccc1)c1nc(CCCc2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)n1.O=S(=O)(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL4776747 0.97 PKM (0.43) PKMTP53CHEK1AURKAJAK2
SCHEMBL4796331 0.76 ADRA2A (0.37) TP53ADORA2AADORA2BADORA1
SCHEMBL4778477 0.73 MEN1 (0.45) TP53KMT2AMAPTMEN1NPSR1
SCHEMBL4779650 0.70 MAPT (0.46) PKMKMT2AMAPTMEN1POLB
SCHEMBL4774593 0.67 ALDH1A1 (0.44) KMT2AMAPTMEN1NPSR1CYP1A2
SCHEMBL4774611 0.66 LTB4R (0.47) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL4776218 0.65 CYP19A1 (0.42) PKMKMT2AMAPTMEN1POLB
SCHEMBL411205 0.65 AOC3 (0.53) LMNAALDH1A1TDP1
SCHEMBL5559803 0.65 ALDH1A1 (0.64) PKMKMT2AMEN1LMNAALDH1A1
SCHEMBL4776675 0.64 HTR7 (0.47) KMT2AMAPTNPSR1CYP1A2CYP3A4

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