SCHEMBL9868262

SCHEMBL9868262

CCOC(=O)c1sc(=O)n(CC2CC2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR1 P21554 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TP53 P04637 3/20 0.35
ALOX15 P16050 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL9519978 0.81 NOTUM (0.36) CNR2ALDH1A1CNR1
SCHEMBL9866650 0.79 POLB (0.52) ALDH1A1GAAHTTHSD17B10MEN1
SCHEMBL9867238 0.79 HDAC3 (0.38) ALDH1A1GAAHTTHSD17B10MEN1
SCHEMBL10391800 0.77 CNR2 (0.38) CNR2CNR1
SCHEMBL23153536 0.68 LMNA (0.41) CNR2ALDH1A1TSHRKMT2AMAPT
SCHEMBL1406947 0.68 LMNA (0.60) ALDH1A1GAATSHRHSD17B10MEN1
SCHEMBL1266481 0.66 CNR2 (0.40) CNR2ALDH1A1GAAHTTTSHR
SCHEMBL6036420 0.65 CNR2 (0.39) CNR2ALDH1A1GAAHTTTSHR
SCHEMBL11395888 0.64 ALDH1A1 (0.46) ALDH1A1GAAHTTTSHRHSD17B10
SCHEMBL23159517 0.64 CNR2 (0.40) CNR2ALDH1A1GAAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008281-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1991-04-16 US disclosed
US-4925862-A PESTICIDES ROUSSEL UCLAF (FR) 1990-05-15 US disclosed