SCHEMBL5673053

SCHEMBL5673053

Cc1nc(Cl)c(C=CC(=O)O)n1Cc1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.51
S1PR5 Q9H228 3/20 0.51
PRKX P51817 1/20 0.51
ACVR1 Q04771 1/20 0.51
PTGER3 P43115 1/20 0.47
PTGDR Q13258 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
SRD5A2 P31213 1/20 0.41
PIM1 P11309 1/20 0.41
PDGFRA P16234 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 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
SCHEMBL5673045 1.00 S1PR1 (0.51) S1PR1S1PR5PRKXACVR1PTGER3
SCHEMBL5675413 0.90 ALDH1A1 (0.41) S1PR1S1PR5PRKXACVR1PTGER3
SCHEMBL5675408 0.90 ALDH1A1 (0.41) S1PR1S1PR5PRKXACVR1PTGER3
SCHEMBL5673966 0.88 S1PR1 (0.49) S1PR1S1PR5PRKXACVR1ALDH1A1
SCHEMBL5674028 0.86 KDM4E (0.39) S1PR1S1PR5PRKXACVR1ALDH1A1
SCHEMBL5674030 0.86 KDM4E (0.39) S1PR1S1PR5PRKXACVR1ALDH1A1
SCHEMBL5673719 0.85 S1PR1 (0.43) S1PR1S1PR5PRKXACVR1PTGER3
SCHEMBL5672554 0.85 S1PR1 (0.43) S1PR1S1PR5PRKXACVR1PTGER3
SCHEMBL5673725 0.85 S1PR1 (0.43) S1PR1S1PR5PRKXACVR1PTGER3
SCHEMBL5672552 0.85 S1PR1 (0.43) S1PR1S1PR5PRKXACVR1PTGER3

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-7060721-B1 Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-06-13 US disclosed
EP-1142879-A1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed