SCHEMBL16319398

SCHEMBL16319398

N#Cc1cc(C(=O)O)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.59
PLA2G7 Q13093 4/20 0.53
MRGPRX4 Q96LA9 4/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTR2A P28223 2/20 0.47
SLC6A4 P31645 2/20 0.47
KCNH2 Q12809 2/20 0.47
CCR1 P32246 1/20 0.46
CCR2 P41597 1/20 0.46
CCR5 P51681 1/20 0.46
SLC22A12 Q96S37 2/20 0.46
AR P10275 1/20 0.46
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43

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
SCHEMBL16319332 0.81 SCN9A (0.61) PLA2G7HTR2ASLC6A4KCNH2SLC22A12
SCHEMBL6044963 0.81 PARP10 (0.57) PLA2G7ALDH1A1HPGDLPAR1LPAR5
SCHEMBL4151526 0.81 HPGD (0.51) PLA2G7ALDH1A1HPGDSLC22A12AR
SCHEMBL16319575 0.79 KMO (0.60) KMOMRGPRX4TSHRHTR2ASLC6A4
SCHEMBL364842 0.79 KMO (0.60) KMOMRGPRX4TSHRALDH1A1HTR2A
SCHEMBL1923911 0.77 TSHR (0.59) KMOMRGPRX4TSHRALDH1A1HPGD
SCHEMBL15096334 0.77 AR (0.54) MRGPRX4ALDH1A1HPGDARLPAR1
SCHEMBL14081445 0.77 AR (0.57) PLA2G7HTR2ASLC6A4KCNH2SLC22A12
SCHEMBL5837296 0.77 SLC22A12 (0.57) PLA2G7ALDH1A1HPGDHTR2ASLC6A4
SCHEMBL28288101 0.77 HTR2A (0.55) PLA2G7TSHRALDH1A1HPGDHTR2A

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed