SCHEMBL9769886

SCHEMBL9769886

Cc1nnnn1C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.45
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MGAM O43451 1/20 0.32
AMY1A P0DUB6 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9769894 0.81 ALDH1A1 (0.43) HMGCRALDH1A1HPGDHSD17B10HSD11B1
SCHEMBL9769874 0.75 HMGCR (0.54) HMGCRALDH1A1HPGDUSP2HSD17B10
SCHEMBL9769861 0.73 HMGCR (0.45) HMGCRALDH1A1HPGDUSP2HSD17B10
SCHEMBL4681439 0.73 TYMP (0.42) HMGCRALDH1A1HPGDUSP2HSD17B10
SCHEMBL9769863 0.71 HMGCR (0.56) HMGCRALDH1A1HPGDUSP2HSD17B10
SCHEMBL10548599 0.71 HMGCR (0.56) HMGCRALDH1A1HPGDUSP2HSD17B10
SCHEMBL9769845 0.70 HMGCR (0.43) HMGCRALDH1A1USP2LMNATDP1
SCHEMBL9726535 0.68 HMGCR (0.46) HMGCRALDH1A1USP2HSD17B10SMN1; SMN2
SCHEMBL9726531 0.66 POLB (0.36) HMGCRALDH1A1HPGDUSP2HSD17B10
SCHEMBL9726584 0.66 HMGCR (0.38) HMGCRUSP2HSD17B10TDP1GAA

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 3 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
US-4870187-A ANTILIPEMIC, ATHEROSCLEROSIS BRISTOL-MYERS COMPANY (US) 1989-09-26 US disclosed