SCHEMBL9153403

SCHEMBL9153403

COCCN1C(C)=C(C(=O)O)C(c2cccc(-c3nnc(C)o3)c2)(C(C)C)C(C(=O)O)=C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MAPK14 Q16539 4/20 0.35
MAPK11 Q15759 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MYC P01106 2/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 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
SCHEMBL9154812 0.87 NOTUM (0.39) CTSVCTSLCTSSCTSKMAPT
SCHEMBL7400371 0.77 CYP2C9 (0.43) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL9154694 0.76 PYGM (0.46) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL6951541 0.69 LMNA (0.36) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4732866 0.68 NR3C2 (0.33) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL16572042 0.66 MYC (0.61) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL4755356 0.66 TSHR (0.37) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL9153388 0.65 PYGM (0.36) CTSAMAPTLMNAFGFR3KDR
SCHEMBL12896087 0.65 PIM1 (0.52) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL38650804 0.63 CTSA (0.51) CTSAMAPTSMN1; SMN2TSHR

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
US-5403849-A Treatment of central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1995-04-04 US claimed