SCHEMBL9725591

SCHEMBL9725591

FC(F)(F)c1cc(Cl)c(NS)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
RAPGEF4 Q8WZA2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 8/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
PLAU P00749 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1768628 0.77 PDE2A (0.40) PDE2ARAPGEF4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL241686 0.77 ALDH1A1 (0.42) PDE2ARAPGEF4SMN1; SMN2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL5745583 0.76 ALDH1A1 (0.41) PDE2ARAPGEF4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL10695243 0.73 PDE2A (0.39) PDE2ASMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL16320650 0.72 GABRA2 (0.38) PDE2ARAPGEF4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL28714280 0.72 PDE2A (0.37) PDE2ARAPGEF4ALDH1A1CYP3A4HPGD
SCHEMBL12864135 0.72 GABRB3 (0.36) PDE2ARAPGEF4SMN1; SMN2ALDH1A1TDP1
SCHEMBL981089 0.72 ALDH1A1 (0.46) PDE2ASMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL7710562 0.71 ALDH1A1 (0.41) PDE2ASMN1; SMN2ALDH1A1GPR35MAPT
SCHEMBL7713982 0.71 PDE2A (0.40) PDE2ASMN1; SMN2ALDH1A1GPR35MAPT

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
US-5095032-A PARASITICIDAL NEW SUBSTITUTED THIENOPYRANONES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
US-4804655-A Pesticidal cyclic malonylphosphonic diamides BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
US-4771048-A VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed
US-4766144-A 3-carbamoyl-4-hydroxy-coumarins for combating parasitic heiminths BAYER AKTIENGESELLSCHAFT (DE) 1988-08-23 US disclosed