SCHEMBL3244202

SCHEMBL3244202

C#CCn1cc2ccc(=O)cc-2c(C(=O)O)c1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.32
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
AHR P35869 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
SCHEMBL3347259 0.81 PTGDR2 (0.46) SMN1; SMN2LMNA
SCHEMBL3243476 0.80 ALDH1A1 (0.36) GFERRAB9ASMN1; SMN2LMNANPC1
SCHEMBL3236371 0.80 PTGDR2 (0.44) GFERRAB9A
SCHEMBL3237136 0.80 TYR (0.39) GFER
SCHEMBL3242838 0.79 CASP3 (0.33) GFER
SCHEMBL3238452 0.79 BRD9 (0.36) GFERRAB9ASMN1; SMN2LMNANPC1
SCHEMBL3239397 0.79 ALDH1A1 (0.40) GFERRAB9A
SCHEMBL2148940 0.79
SCHEMBL3232124 0.77 HDAC1 (0.39) GFERRAB9ASMN1; SMN2LMNAMAPT
SCHEMBL3243756 0.76 BRD4 (0.36) GFERRAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 WO disclosed