SCHEMBL8070434

SCHEMBL8070434

Cn1c(C(=O)O)c2c3c(cccc31)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCL1 Q07820 1/20 0.41
RXRA P19793 4/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CXCR5 P32302 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
FABP4 P15090 2/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL8068418 0.81 MEN1 (0.41) POLBMAPTALDH1A1MEN1LMNA
SCHEMBL8074878 0.79 KMT2A (0.41) L3MBTL1POLBMAPTALDH1A1MEN1
SCHEMBL8059309 0.75 KDM4E (0.32) L3MBTL1POLBMAPTMCL1ALDH1A1
SCHEMBL8059334 0.73 NLRP3 (0.31) L3MBTL1POLBMAPTMCL1ALDH1A1
SCHEMBL8059336 0.72 NLRP3 (0.30) L3MBTL1POLBMCL1ALDH1A1MEN1
SCHEMBL5799161 0.69 EGFR (0.41) L3MBTL1MAPTTDP1MCL1ALDH1A1
SCHEMBL29493191 0.67 CXCR5 (0.56) L3MBTL1RXRARXRBRXRGBCL2L1
SCHEMBL783869 0.67 CXCR5 (0.56) L3MBTL1RXRARXRBRXRGBCL2L1
SCHEMBL5755502 0.65 CXCR5 (0.55) L3MBTL1RXRARXRBRXRGBCL2L1
Hydrochloric Acid SCHEMBL2398251 0.65 CXCR5 (0.55) L3MBTL1RXRARXRBRXRGBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0803501-B1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMA (JP) 2000-07-05 EP disclosed
EP-0803501-A1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-29 EP disclosed