SCHEMBL8099596

SCHEMBL8099596

CCOC(=O)c1c(-c2ccc(-c3ccccn3)cc2)n(C)n(-c2ccc(C#N)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 1/20 0.39
SLC34A1 Q06495 1/20 0.39
ELANE P08246 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
METAP1 P53582 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
SLC11A2 P49281 2/20 0.38
HRH2 P25021 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
SCHEMBL8113217 0.88 MAPT (0.45) ELANEALDH1A1KDM4EHPGDHTT
SCHEMBL8108281 0.87 NR3C2 (0.42) ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL8115267 0.86 SLC11A2 (0.39) ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL8114850 0.84 HRH2 (0.39) SLC34A1ALDH1A1KDM4EHPGDMEN1
SCHEMBL8113306 0.84 ALDH1A1 (0.42) SLC34A1ALDH1A1KDM4EHPGDMEN1
SCHEMBL8108274 0.82 KIF11 (0.41) SLC34A1ELANEALDH1A1KDM4EHPGD
SCHEMBL8099495 0.81 MAPT (0.45) ALDH1A1KDM4EMEN1KMT2AHRH2
SCHEMBL8108969 0.80 TSHR (0.44) ELANEALDH1A1KDM4EHPGDHTT
SCHEMBL19639773 0.72 ELANE (0.53) ELANE
SCHEMBL19639807 0.69 ELANE (0.48) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778768-A4 FORMULATIONS AND METHODS FOR PROVIDING PROLONGED LOCAL ANESTHESIA EURO CELTIQUE SA (LU) 2000-10-11 EP disclosed
EP-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US disclosed
EP-0778768-A1 FORMULATIONS AND METHODS FOR PROVIDING PROLONGED LOCAL ANESTHESIA Euroceltique S.A. (LU) 1997-06-18 EP disclosed
WO-1996041616-A1 FORMULATIONS AND METHODS FOR PROVIDING PROLONGED LOCAL ANESTHESIA EURO-CELTIQUE, S.A. (LU) 1996-12-27 WO disclosed