SCHEMBL8059452

SCHEMBL8059452

CCOC(=O)c1c2c3c(cccc3n1Cc1ccccc1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
F2RL3 Q96RI0 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL8074878 0.82 KMT2A (0.41) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL8068418 0.79 MEN1 (0.41) TP53ALDH1A1MAPTPOLBLMNA
SCHEMBL8068449 0.79 ATM (0.38) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL8069911 0.75 F10 (0.40) TSHRLMNASMN1; SMN2F10PLA2G2A
SCHEMBL8069913 0.74 PLA2G2A (0.37) LMNAF10PLA2G2A
SCHEMBL17625298 0.73 F10 (0.58) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL182493 0.71 MAPT (0.62) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL9098048 0.71 MAPT (0.55) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL182200 0.71 MAPK1 (0.52) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL14019802 0.71 TSHR (0.54) TSHRALDH1A1MAPK1MAPTPOLB

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