SCHEMBL9302391

SCHEMBL9302391

Cc1ccc2nc(C(C)C)[c]c(-c3ccc(F)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
POLB P06746 1/20 0.41
DHODH Q02127 5/20 0.40
KDM4E B2RXH2 4/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GRM2 Q14416 1/20 0.36
ELANE P08246 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9302519 0.82 ADORA2A (0.43) KDM4EALDH1A1MAPTGRM2MEN1
SCHEMBL7592397 0.66 ADORA2A (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7557410 0.66 P2RX3 (0.33) HSP90AA1
SCHEMBL10865766 0.66 LMNA (0.57) APPPOLBDHODHKDM4ELMNA
SCHEMBL9302679 0.66 S1PR2 (0.37) POLBKDM4ELMNAALDH1A1MAPT
SCHEMBL7565046 0.65 HTR2A (0.37)
SCHEMBL21799192 0.65 ALDH1A1 (0.72) DHODHKDM4ELMNAALDH1A1MAPT
SCHEMBL526996 0.64 GCGR (0.56)
SCHEMBL8846284 0.64 MAPT (0.43) POLBDHODHKDM4ELMNAALDH1A1
SCHEMBL1644995 0.64 TNKS (0.66) POLBNPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US claimed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP claimed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US claimed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP claimed
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US disclosed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP disclosed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP disclosed