SCHEMBL9852812

SCHEMBL9852812

COc1cc(OC)nc(OC(=O)NS(=O)(=O)c2ccccc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CCR4 P51679 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
LGALS8 O00214 1/20 0.39

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
SCHEMBL8074044 0.82 FLT1 (0.52) NPSR1SMN1; SMN2ALDH1A1FLT1FLT4
SCHEMBL11276176 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAKDM4ENPC1
SCHEMBL3335057 0.78 POLB (0.54) ALDH1A1FLT1FLT4KDRCCR4
SCHEMBL11265505 0.74 KDM4E (0.55) SMN1; SMN2ALDH1A1LMNAKDM4ENPC1
SCHEMBL9852821 0.74 HCRTR1 (0.45) SMN1; SMN2ALDH1A1KDM4ETHRBTSHR
SCHEMBL11555306 0.74 SMN1; SMN2 (0.65) NPSR1SMN1; SMN2ALDH1A1FLT1FLT4
SCHEMBL7226876 0.72 FLT1 (0.49) SMN1; SMN2ALDH1A1FLT1FLT4KDR
SCHEMBL10867071 0.72 CCR4 (0.41) SMN1; SMN2ALDH1A1FLT1FLT4KDR
SCHEMBL11156942 0.72 KDM4E (0.52) SMN1; SMN2ALDH1A1CCR4LMNAMAPT
SCHEMBL6495809 0.72 CA12 (0.50) ALDH1A1FLT1FLT4KDRKDM4E

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-0444286-A1 Sulphonylated pyrimidine carboxylic acid amides BAYER AG (DE) 1991-09-04 EP disclosed