SCHEMBL8895548

SCHEMBL8895548

N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)Nc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
TSHR P16473 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
AURKA O14965 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MARK3 P27448 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
Hydrochloric Acid SCHEMBL8896927 0.99 F7 (0.46) F7F2F10TSHRMEN1
SCHEMBL8896859 0.89 F7 (0.48) F7F2F10TSHRMEN1
SCHEMBL8897831 0.89 TSHR (0.48) F7F2F10TSHRMEN1
Hydrochloric Acid SCHEMBL8897814 0.88 F7 (0.47) F7F2F10TSHRMEN1
Hydrochloric Acid SCHEMBL8898311 0.88 TSHR (0.47) F7F2F10TSHRMEN1
SCHEMBL8895678 0.87 F7 (0.46) F7F2F10TSHRMEN1
Hydrochloric Acid SCHEMBL8896408 0.86 F7 (0.46) F7F2F10TSHRMEN1
SCHEMBL8895817 0.85 TSHR (0.45) F7F2F10TSHRMEN1
SCHEMBL919132 0.84 TSHR (0.57) F7F2F10TSHRMEN1
SCHEMBL8895496 0.84 F7 (0.46) F7F2F10TSHRMEN1

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-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP claimed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP claimed
EP-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP disclosed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed