SCHEMBL5255602

SCHEMBL5255602

CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
P2RX3 P56373 3/20 0.46
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
LMNA P02545 1/20 0.41
MMP1 P03956 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KCNH2 Q12809 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
SCHEMBL14637734 0.85 ALDH1A1 (0.47) MAOBMAOACCNCCDK8MMP1
SCHEMBL22407068 0.83 MAOB (0.68) MAOBMAOAP2RX3CYP11B1CYP11B2
SCHEMBL29993560 0.82 KCNH2 (0.49) MAOBMAOACYP11B1CYP11B2KCNH2
SCHEMBL8022080 0.82 KCNH2 (0.49) MAOBMAOACYP11B1CYP11B2KCNH2
SCHEMBL27604216 0.82 MMP1 (0.43) MAOBMAOACCNCCDK8MMP1
SCHEMBL28039336 0.82 AR (0.50) MAOBMAOACCNCCDK8MMP1
SCHEMBL17996051 0.81 P2RX3 (0.55) MAOBMAOAP2RX3CYP11B1CYP11B2
SCHEMBL28037947 0.80 CCNC (0.41) MAOBMAOACCNCCDK8MMP1
SCHEMBL2842833 0.80 CPS1 (0.58) LMNA
SCHEMBL28672489 0.79 CCNC (0.50) MAOBMAOACCNCCDK8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844993-B1 PESTICIDAL INDAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-09-26 EP disclosed
US-5935908-A PLANT GROWTH REGULATOR NOVARTIS CROP PROTECTION, INC. (US) 1999-08-10 US disclosed
EP-0844993-A2 PESTICIDAL INDAZOLE DERIVATIVES Novartis AG (CH) 1998-06-03 EP disclosed
WO-1997007103-A2 PESTICIDAL INDAZOLE DERIVATIVES NOVARTIS AG (CH) 1997-02-27 WO disclosed