SCHEMBL28105355

SCHEMBL28105355

O=C(O)c1cccc(C(=O)O)c1Cc1ccc(F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
RPA1 P27694 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
GPR52 Q9Y2T5 1/20 0.43
PTPRG P23470 1/20 0.43
PTGER4 P35408 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.42
FADS1 O60427 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALB P02768 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KLKB1 P03952 1/20 0.40
CTSB P07858 1/20 0.40
MMP9 P14780 1/20 0.40
DNMT1 P26358 1/20 0.40
DNMT3B Q9UBC3 1/20 0.40
DNMT3L Q9UJW3 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
SCHEMBL27873446 0.86 PTPRG (0.56) PTPRGPTGER4NPC1RAB9ATSHR
SCHEMBL28104996 0.86 KDM5A (0.48) GPR52NPC1RAB9ATSHRALB
SCHEMBL28105342 0.78 HCAR2 (0.52)
SCHEMBL27988953 0.77 CYP1A2 (0.53) TSHRALBALDH1A1
SCHEMBL16429101 0.75 ALB (0.59) NPC1TSHRSMN1; SMN2ALBALDH1A1
SCHEMBL1043112 0.73 CALM1 (0.48) PIK3CANPC1RAB9ATSHRSMN1; SMN2
SCHEMBL27488099 0.73 ALDH1A1 (0.54) TSHRSMN1; SMN2ALDH1A1
SCHEMBL5455144 0.72 ALDH1A1 (0.57) NPC1RAB9ATSHRALDH1A1
SCHEMBL4844133 0.72 TSHR (0.53) MRGPRX4TSHRNPSR1ALDH1A1
SCHEMBL8578593 0.72 ALDH1A1 (0.57) TSHRSMN1; SMN2ALBALDH1A1

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
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed