SCHEMBL8895096

SCHEMBL8895096

N=C(NCc1ccc(Cl)cc1)NC(=N)NCc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44

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 SCHEMBL8897948 0.98 MEN1 (0.57) MEN1KMT2ACYP2C9CYP2C19HPGD
SCHEMBL8897145 0.89 MEN1 (0.51) MEN1KMT2ACYP2C9CYP2C19HPGD
SCHEMBL1040794 0.89 CYP2C9 (0.58) MEN1KMT2ACYP2C9CYP2C19HPGD
Hydrochloric Acid SCHEMBL8898569 0.88 MEN1 (0.50) MEN1KMT2ACYP2C9CYP2C19HPGD
Hydrochloric Acid SCHEMBL9666366 0.87 CYP2C9 (0.56) MEN1KMT2ACYP2C9CYP2C19HPGD
SCHEMBL8896844 0.87 MEN1 (0.46) MEN1KMT2ACYP2C9CYP2C19HPGD
SCHEMBL14868710 0.87 TSHR (0.47) MEN1KMT2ACYP2C9CYP2C19HPGD
SCHEMBL564192 0.86 MEN1 (0.57) MEN1KMT2ACYP2C9CYP2C19HPGD
SCHEMBL29373341 0.85 LMNA (0.50) MEN1KMT2ACYP2C9CYP2C19HPGD
SCHEMBL454852 0.85 LMNA (0.50) MEN1KMT2ACYP2C9CYP2C19HPGD

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-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