SCHEMBL2850752

SCHEMBL2850752

CS(=O)(=O)c1ccc2nc(NC(=O)Oc3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 7/20 0.54
GAA P10253 2/20 0.54
RECQL P46063 1/20 0.54
RXFP1 Q9HBX9 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
GHSR Q92847 2/20 0.46
HPGD P15428 2/20 0.46
ACP1 P24666 1/20 0.46

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
SCHEMBL2853456 0.85 KMT2A (0.46) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2860822 0.82 MAPT (0.45) MAPT
SCHEMBL2859374 0.82 MAPT (0.52) NPSR1SMN1; SMN2MAPTATM
SCHEMBL2855798 0.81 MAPT (0.45) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL2854721 0.79 MAPT (0.42) MEN1KMT2APOLBSMN1; SMN2RAB9A
SCHEMBL2860500 0.76 TP53 (0.54) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL2859029 0.75 FFAR2 (0.46) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL2850712 0.75 MAPT (0.41) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2850385 0.75 CA2 (0.50) MEN1KMT2AMAPT
SCHEMBL2852244 0.74 MAPT (0.48) MEN1KMT2APOLBALDH1A1KDM4E

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed