SCHEMBL9025978

SCHEMBL9025978

NC(c1cc(Cl)cc(Cl)c1)c1cc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
FLT3 P36888 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9025596 0.87 KMT2A (0.43) CYP19A1LMNAMAPTHPGDALOX15
SCHEMBL4514838 0.82 RAB9A (0.45) LMNATSHRFLT3LOXL2POLB
Hydrochloric Acid SCHEMBL12987906 0.81 RAB9A (0.44) LMNATSHRFLT3LOXL2POLB
SCHEMBL9026002 0.77 NPC1 (0.48) CYP19A1LMNAMAPTHPGDFLT3
SCHEMBL24620886 0.77 NPC1 (0.46) CYP19A1LMNAMAPTTSHRFLT3
SCHEMBL24621095 0.75 CYP19A1 (0.42) CYP19A1MAPTFLT3LOXL2POLB
SCHEMBL9025419 0.74 CYP19A1 (0.42) CYP19A1LMNAMAPTHPGDALOX15
SCHEMBL22105645 0.73 CFTR (0.42) CYP19A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL29772198 0.73 CFTR (0.42) CYP19A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL18313666 0.72 FLT3 (0.48) HPGDTSHRFLT3LOXL2POLB

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