SCHEMBL4710639

SCHEMBL4710639

CN(C)C(=S)Oc1ccc2c3c(c(=O)oc2c1)CCCC3

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
STS P08842 12/20 0.65
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 6/20 0.60
HPGD P15428 5/20 0.60
TSHR P16473 3/20 0.60
MAPT P10636 3/20 0.59
MAPK1 P28482 3/20 0.59
GLA P06280 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL4708959 0.79 KMT2A (1.00) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL4712728 0.79 KDM4E (0.69) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL3722363 0.79 STS (0.85) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL4708735 0.78 KDM4E (0.95) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL21587879 0.78 KMT2A (0.68) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL17529284 0.77 STS (0.59) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL29527962 0.76 KMT2A (0.66) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL29386209 0.76 KDM4E (0.71) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL10070507 0.76 STS (0.72) KMT2AMEN1STSKDM4EALDH1A1
SCHEMBL30616078 0.76 STS (0.72) KMT2AMEN1STSKDM4EALDH1A1

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-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP claimed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO claimed
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
US-5169838-A Anticoagulants FOURNIER INDUSTRIE ET SANTE (FR) 1992-12-08 US disclosed