4-Chloro-Benzoic Acid

4-Chloro-Benzoic Acid

SCHEMBL9035256

COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1N1CCN(C)CC1.O=C(O)c1ccc(Cl)cc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.66
HTR1B P28222 9/20 0.66
HTR1A P08908 7/20 0.66
HTR2A P28223 5/20 0.66
HTR2C P28335 5/20 0.66
HTR6 P50406 4/20 0.66
SLC6A4 P31645 2/20 0.60
TMPRSS2 O15393 1/20 0.60
HTR7 P34969 2/20 0.58
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LCK P06239 1/20 0.56
MAPK14 Q16539 1/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56

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
SCHEMBL8705195 0.96 HTR1D (0.70) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9033701 0.90 HTR1D (0.66) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL1333497 0.85 HTR1D (0.71) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8705402 0.85 HTR1D (0.70) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8704883 0.85 HTR1D (0.70) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL7805150 0.85 HTR1D (0.77) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8707722 0.84 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9296216 0.83 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL9299582 0.83 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL4688960 0.83 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2AHTR2C

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-0712397-A1 AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-22 EP disclosed
WO-1995004729-A1 AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-16 WO disclosed