SCHEMBL6584802

SCHEMBL6584802

CCn1ncc(C(=O)c2ccc(Cl)c(C=Cc3ccoc3)c2Cl)c1O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7077658 0.75 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7077661 0.75 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL6587700 0.73 HCAR2 (0.44) ALDH1A1MAPTHCAR2KMT2AMEN1
SCHEMBL9078101 0.71 SMN1; SMN2 (0.34) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9078097 0.71 SMN1; SMN2 (0.34) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9076246 0.70 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL9076935 0.70 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL4245180 0.70 RAB9A (0.38) RAB9ASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL27524777 0.70 LMNA (0.44) RAB9ASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7962639 0.70 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2ALDH1A1MAPTKMT2A

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-0984944-B1 SUBSTITUTED 4-(3-ALKENYL-BENZOYL)-PYRAZOLES BASF AG (DE) 2004-08-04 EP disclosed
US-6143696-A FOR CROP PROTECTION; HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0984944-A1 SUBSTITUTED 4-(3-ALKENYL-BENZOYL)-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2000-03-15 EP disclosed
WO-1998050366-A1 SUBSTITUTED 4-(3-ALKENYL-BENZOYL)-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-11-12 WO disclosed