Sugi Predict

Sugi Predict / Compounds / SCHEMBL9753469

SCHEMBL9753469

SCHEMBL9753469

CC(C)c1c(/C=C/C(O)CC(=O)CC(=O)O)c(-c2ccc(F)cc2)nn2c(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 9/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PDE6D O43924 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9753478 1.00 HMGCR (0.40) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753700 0.91 HMGCR (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753706 0.91 HMGCR (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753079 0.90 HMGCR (0.40) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753078 0.90 HMGCR (0.40) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753380 0.90 HMGCR (0.40) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753372 0.90 HMGCR (0.40) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753381 0.89 HMGCR (0.39) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753386 0.89 HMGCR (0.39) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753762 0.88 HMGCR (0.39) HMGCRALDH1A1CYP3A4PDE6DNR1I2

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-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 — — WO disclosed