SCHEMBL8637660

SCHEMBL8637660

CC(Oc1ccnc(S(C)(=O)=O)n1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B1 P15538 1/20 0.35
SLC6A9 P48067 11/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CDK1 P06493 2/20 0.34
CDK4 P11802 2/20 0.34
CDK2 P24941 2/20 0.34
KDR P35968 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL7696606 0.83 ALDH1A1 (0.43) LMNASMN1; SMN2CDK2PTGS1PTGS2
SCHEMBL27836920 0.81 KMT2A (0.41) LMNASMN1; SMN2NR1H2NR1H3
SCHEMBL24725108 0.78 SMN1; SMN2 (0.41) LMNASMN1; SMN2PTGS2
SCHEMBL18382 0.76 NR1H2 (0.41) LMNASMN1; SMN2PTGS1PTGS2NR1H2
SCHEMBL7270618 0.74 SMN1; SMN2 (0.60) LMNASMN1; SMN2
SCHEMBL28858783 0.73 LMNA (0.42) LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL32665306 0.73 LMNA (0.42) LMNASMN1; SMN2
SCHEMBL2411422 0.71 SMN1; SMN2 (0.43) LMNASMN1; SMN2PTGS2
SCHEMBL7984890 0.70 NUDT1 (0.41) LMNASMN1; SMN2NR1H2NR1H3
SCHEMBL1183883 0.69 SDHB (0.50) LMNASMN1; SMN2PTGS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749427-B1 PYRIMIDINE FUNGICIDES ZENECA LTD (GB) 1998-07-29 EP disclosed
US-5723471-A Pyrimidine fungicides ZENECA LIMITED (GB) 1998-03-03 US disclosed
EP-0749427-A1 PYRIMIDINE FUNGICIDES ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024396-A1 PYRIMIDINE FUNGICIDES ZENECA LIMITED (GB) 1995-09-14 WO disclosed