SCHEMBL4713181

SCHEMBL4713181

O=c1oc2cc3oc(SCc4ccccc4)nc3cc2c2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.53
MAOB P27338 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TSHR P16473 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL4709482 0.79 ALDH1A1 (0.52) ELANEHPGDCYP1A2ALDH1A1TSHR
SCHEMBL4708821 0.77 ALDH1A1 (0.47) MAOBTDP1HPGDCYP1A2ALDH1A1
SCHEMBL4709072 0.77 ALDH1A1 (0.47) ELANEMAOBTDP1HPGDCYP1A2
SCHEMBL4708997 0.76 ALDH1A1 (0.49) ELANEHPGDCYP1A2ALDH1A1TSHR
SCHEMBL8238038 0.75 ALDH1A1 (0.47) MAOBTDP1HPGDCYP1A2ALDH1A1
SCHEMBL4709144 0.74 ELANE (0.50) ELANEMAOBTDP1HPGDCYP1A2
SCHEMBL4711081 0.73 ALDH1A1 (0.48) MAOBTDP1HPGDCYP1A2ALDH1A1
SCHEMBL4710884 0.72 ALDH1A1 (0.59) HPGDCYP1A2ALDH1A1TSHRKDM4E
SCHEMBL8243431 0.72 ALDH1A1 (0.56) HPGDCYP1A2ALDH1A1TSHRKDM4E
SCHEMBL4713288 0.71 HSD17B10 (0.50) MAOBTDP1HPGDCYP1A2CYP2C9

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
EP-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed