SCHEMBL6443175

SCHEMBL6443175

O=C(OCc1c(Cl)nc(C(=O)OOC(=O)c2ccccc2)c(=O)n1C1CCCO1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
CASP1 P29466 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NSD2 O96028 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL9669271 0.66 KMT2A (0.41) MAPTALDH1A1GAAHPGDPOLB
SCHEMBL6443180 0.65 KMT2A (0.34) MAPTALDH1A1HPGDNPSR1KMT2A
SCHEMBL3598235 0.65 HPGD (0.57) ALDH1A1HPGDPOLB
SCHEMBL26025586 0.65 HPGD (0.57) ALDH1A1HPGDPOLB
SCHEMBL23394177 0.65 HPGD (0.57) ALDH1A1HPGDPOLB
SCHEMBL18280147 0.61 MGLL (0.58)
SCHEMBL29051134 0.61 MEN1 (0.58) MAPTALDH1A1HPGDTSHRKMT2A
SCHEMBL12487561 0.60 HPGD (0.55) ALDH1A1GAAHPGDGLATDP1
SCHEMBL12959086 0.60 NPC1 (0.53) MAPK1KMT2ACHRNB2CHRNA5CHRNA7
SCHEMBL9354623 0.60 ALDH1A1 (0.66) ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256588-B1 NOVEL PYRAZINE DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES OR THE SALTS AND INTERMEDIATES FOR THE PREPARATION OF BOTH TOYAMA CHEMICAL CO LTD (JP) 2005-02-02 EP disclosed