SCHEMBL8895817

SCHEMBL8895817

Cc1ccc(NC(=N)NC(=N)NCc2ccc(Cl)c(Cl)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
F7 P08709 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTT P42858 2/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
ALOX12 P18054 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
PABPC1 P11940 1/20 0.42
S100A4 P26447 1/20 0.42
EIF4H Q15056 1/20 0.42
AURKA O14965 1/20 0.40
DYRK3 O43781 1/20 0.40

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 SCHEMBL8896839 0.99 TSHR (0.44) TSHRF7SMN1; SMN2MEN1KMT2A
SCHEMBL8897831 0.90 TSHR (0.48) TSHRF7SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8898311 0.88 TSHR (0.47) TSHRF7SMN1; SMN2MEN1KMT2A
SCHEMBL8895548 0.85 F7 (0.46) TSHRF7SMN1; SMN2MEN1KMT2A
SCHEMBL8896859 0.84 F7 (0.48) TSHRF7SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8896927 0.84 F7 (0.46) TSHRF7SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8897814 0.83 F7 (0.47) TSHRF7SMN1; SMN2MEN1KMT2A
SCHEMBL919132 0.82 TSHR (0.57) TSHRF7SMN1; SMN2MEN1KMT2A
SCHEMBL8895678 0.82 F7 (0.46) TSHRF7SMN1; SMN2MEN1KMT2A
SCHEMBL8896311 0.82 MAPT (0.48) SMN1; SMN2MEN1KMT2AHTTHPGD

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 3 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