SCHEMBL9729433

SCHEMBL9729433

COCC(O)(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.46
CYP19A1 P11511 2/20 0.42
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
KIF11 P52732 4/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR6 P51684 6/20 0.36
KCNH2 Q12809 4/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9729514 0.80 LMNA (0.43) CHRM3KIF11LMNAKCNH2
SCHEMBL27278401 0.80 KIF11 (0.39) CHRM3CYP19A1SCN5ASCN9AKIF11
SCHEMBL9729319 0.79 CHRM3 (0.46) CHRM3CYP19A1KIF11SMN1; SMN2
SCHEMBL27278356 0.77 KIF11 (0.37) CHRM3CYP19A1SCN5ASCN9AKIF11
SCHEMBL19884937 0.77 SMN1; SMN2 (0.47) CHRM3MAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL29949230 0.76 KIF11 (0.40) CYP19A1SCN5ASCN9AKIF11
Hydrochloric Acid SCHEMBL27076803 0.76 KIF11 (0.40) CYP19A1SCN5ASCN9AKIF11
Hydrochloric Acid SCHEMBL26965558 0.76 KIF11 (0.40) CYP19A1SCN5ASCN9AKIF11
SCHEMBL11618396 0.75 KIF11 (0.49) CHRM3CYP19A1SCN5ASCN9AKIF11
SCHEMBL1155523 0.72 CYP19A1 (0.50) CHRM3CYP19A1SCN5ASCN9AKIF11

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
US-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed