SCHEMBL8955640

SCHEMBL8955640

CCCCNc1c(Br)cc(C(=O)O)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
GAA P10253 2/20 0.60
HCAR3 P49019 4/20 0.48
TTR P02766 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
SLC12A2 P55011 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLA2G2A P14555 1/20 0.41
F2R P25116 2/20 0.41
CISD1 Q9NZ45 1/20 0.41
KDM6B O15054 1/20 0.40

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
Hydrochloric Acid SCHEMBL8955535 0.78 MAPT (0.39) MAPTGAAALDH1A1CA2LMNA
Hydrochloric Acid SCHEMBL8742118 0.77 F2R (0.39) MAPTGAAALDH1A1KDM4EUSP2
SCHEMBL11143770 0.74 GAA (0.54) MAPTGAAHCAR3TTRPLA2G2A
SCHEMBL28104480 0.74 GPR35 (0.46) MAPTGAAHCAR3ALDH1A1F2R
SCHEMBL15412739 0.74 HCAR3 (0.62) MAPTGAAHCAR3ALDH1A1KDM4E
SCHEMBL11845733 0.74 CA2 (0.56) MAPTGAAHCAR3ALDH1A1KDM4E
SCHEMBL2741846 0.73 CA2 (0.64) MAPTGAAHCAR3ALDH1A1KDM4E
SCHEMBL30780100 0.72 TTR (0.56) MAPTHCAR3TTRALDH1A1KDM4E
SCHEMBL18993698 0.72 GAA (0.51) MAPTGAAHCAR3ALDH1A1KDM4E
Hexane SCHEMBL29263834 0.71 PLA2G2A (0.62) MAPTALDH1A1TSHRPLA2G2ATPMT

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-5516805-A 3,5-substituted aminobenzoylguanidines, their use as a medicament or diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed