SCHEMBL9025596

SCHEMBL9025596

NC(c1cccc(Cl)c1)c1cc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP19A1 P11511 5/20 0.41
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL9025978 0.87 CYP19A1 (0.43) POLBCYP19A1MAOBIDO1MAPT
SCHEMBL4514838 0.83 RAB9A (0.45) KMT2AMEN1POLBMAOBLMNA
Hydrochloric Acid SCHEMBL12987906 0.82 RAB9A (0.44) KMT2AMEN1POLBMAOBLMNA
SCHEMBL9026002 0.78 NPC1 (0.48) POLBCYP19A1MAOBMAPTLMNA
SCHEMBL21645338 0.75 ALDH1A1 (0.48) TSHR
SCHEMBL9025419 0.75 CYP19A1 (0.42) KMT2AMEN1CYP19A1MAOBMAPT
SCHEMBL24620886 0.74 NPC1 (0.46) POLBCYP19A1MAPTLMNATSHR
SCHEMBL22105645 0.74 CFTR (0.42) KMT2AMEN1POLBCYP19A1MAPT
SCHEMBL29772198 0.74 CFTR (0.42) KMT2AMEN1POLBCYP19A1MAPT
SCHEMBL20241808 0.74 ACP3 (0.50) KMT2AMEN1IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed