SCHEMBL9704630

SCHEMBL9704630

CC(C)c1cc(Oc2ccccc2F)cc(C(C)C)c1N=C=S

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
PARP10 Q53GL7 1/20 0.38
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
LPAR1 Q92633 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCK P35557 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CARM1 Q86X55 2/20 0.32
PRMT6 Q96LA8 2/20 0.32
HTR2A P28223 6/20 0.32
SLC6A4 P31645 6/20 0.32
KCNH2 Q12809 3/20 0.32
RHEB Q15382 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9701890 0.84 XIAP (0.40) ARLMNASMN1; SMN2HTR2ASLC6A4
SCHEMBL9702850 0.82 AR (0.36) ARPARP10ALDH1A1ESR1LMNA
SCHEMBL10396879 0.82 HPGD (0.41) ARALDH1A1LMNASMN1; SMN2CARM1
SCHEMBL9368279 0.81 BCL2 (0.41) ALDH1A1LMNA
SCHEMBL9702892 0.77 PARP10 (0.43) ARPARP10ALDH1A1ESR1LPAR1
SCHEMBL25962922 0.71 HTR2A (0.49) ARPARP10ALDH1A1GCKHTR2A
SCHEMBL10417101 0.70 ALDH1A1 (0.45) PARP10ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL15472270 0.70 PARP10 (0.51) PARP10ALDH1A1ESR1LPAR1LPAR5
SCHEMBL9728476 0.69 ALDH1A1 (0.33) PARP10ALDH1A1ESR1GCKKDM4E
SCHEMBL9703462 0.69 AR (0.36) ARPARP10ALDH1A1ESR1LMNA

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-0481921-A1 Substituted carbodiimides and thio-ureas and their utilisation against insects CIBA-GEIGY AG (CH) 1992-04-22 EP disclosed