SCHEMBL9356191

SCHEMBL9356191

Cc1cc(/C=C/c2ccccc2)cc(-c2cc(/C=C/c3ccccc3)cc(C)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.54
ALDH1A1 P00352 6/20 0.53
HPGD P15428 6/20 0.53
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GRM5 P41594 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL9356194 1.00 GRM4 (0.54) GRM4ALDH1A1HPGDKDM4ERAB9A
SCHEMBL5865375 0.81 GRM4 (0.60) GRM4ALDH1A1HPGDKDM4ERAB9A
SCHEMBL5865367 0.81 GRM4 (0.60) GRM4ALDH1A1HPGDKDM4ERAB9A
SCHEMBL10123059 0.78 GRM4 (0.56) GRM4ALDH1A1HPGDKDM4ERAB9A
SCHEMBL5865186 0.77 GRM4 (0.47) GRM4ALDH1A1HPGDKDM4ERAB9A
SCHEMBL5865190 0.77 GRM4 (0.47) GRM4ALDH1A1HPGDKDM4ERAB9A
SCHEMBL5865303 0.77 ALDH1A1 (0.52) GRM4ALDH1A1HPGDKDM4ERAB9A
SCHEMBL5865305 0.77 ALDH1A1 (0.52) GRM4ALDH1A1HPGDKDM4ERAB9A
SCHEMBL12567524 0.72 PTGS1 (0.55) GRM4HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL3257033 0.72 MAOB (0.61) ALDH1A1HPGDKDM4EMEN1KMT2A

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-0357731-B1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1994-11-30 EP disclosed
US-5216134-A Using two different chelates as probes WALLAC OY (FI) 1993-06-01 US disclosed
EP-0357731-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD. WALLAC OY (FI) 1990-03-14 EP disclosed
WO-1989008263-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1989-09-08 WO disclosed