SCHEMBL9769861

SCHEMBL9769861

CCOC(=O)C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1nnnc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.45
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ELANE P08246 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL9769828 0.85 ELANE (0.43) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL9769860 0.78 HMGCR (0.42) HMGCRMAPTKMT2AMEN1NPSR1
SCHEMBL9726429 0.74 HMGCR (0.48) HMGCRMAPTKMT2AMEN1NPSR1
SCHEMBL9769886 0.73 HMGCR (0.45) HMGCRMAPTLMNAGAATDP1
SCHEMBL9726594 0.73 KDM4E (0.40) HMGCRMAPTKMT2AMEN1NPSR1
SCHEMBL9726414 0.72 HMGCR (0.40) HMGCRMAPTKMT2AMEN1NPSR1
SCHEMBL9769874 0.72 HMGCR (0.54) HMGCRKMT2ALMNAKDM4EGAA
SCHEMBL1507996 0.72 KMT2A (0.54) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL9859450 0.70 MAPT (0.53) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL9855514 0.70 MAPT (0.53) MAPTKMT2AMEN1NPSR1LMNA

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
US-5070206-A INHIBITORS OF 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE; ANTICHOLESTEROL, ANTILIPEMIC BRISTOL-MYERS COMPANY (US) 1991-12-03 US disclosed
US-5010205-A Antihypercholesterolemic tetrazol-1-yl intermediates BRISTOL-MYERS COMPANY (US) 1991-04-23 US disclosed
EP-0355820-A1 Antihypercholesterolemic tetrazol-1-yl compounds Bristol-Myers Squibb Company (US) 1990-02-28 EP disclosed
US-4870187-A ANTILIPEMIC, ATHEROSCLEROSIS BRISTOL-MYERS COMPANY (US) 1989-09-26 US disclosed