SCHEMBL9518780

SCHEMBL9518780

NC(=O)C(Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
MAPT P10636 2/20 0.52
KMT2A Q03164 1/20 0.52
KCNN4 O15554 10/20 0.46
HTT P42858 1/20 0.43
CYP2D6 P10635 2/20 0.42
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1244297 0.86 CYP1A2 (0.65) CYP1A2MAPTKMT2AKCNN4CYP2D6
SCHEMBL21682397 0.83 MAPT (0.53) CYP1A2MAPTKMT2AKCNN4HTT
SCHEMBL11842568 0.79 CYP1A2 (0.70) CYP1A2MAPTKMT2AKCNN4HTT
SCHEMBL27485211 0.78 CYP1A2 (0.56) CYP1A2MAPTKMT2AKCNN4CYP2D6
SCHEMBL4377323 0.78 CYP1A2 (0.50) CYP1A2MAPTKMT2AKCNN4HTT
SCHEMBL4556174 0.77 MAPT (0.56) CYP1A2MAPTKMT2AKCNN4HTT
SCHEMBL28993126 0.77 CYP1A2 (0.54) CYP1A2MAPTTSHRPOLBCYP3A4
SCHEMBL7593594 0.76 MAPT (0.54) CYP1A2MAPTKMT2AKCNN4HTT
SCHEMBL9211554 0.76 MAPT (0.54) CYP1A2MAPTKMT2AKCNN4HTT
SCHEMBL1817185 0.74 MAPT (0.63) CYP1A2MAPTKMT2AKCNN4HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335046-B1 Method for producing 2,4-dihydroxyquinoline derivatives MITSUBISHI CHEM IND (JP) 1993-12-01 EP disclosed
US-4904787-A CYCLIZATION USING POLYPHOSPHORIC ACID; NONHYDROLIZING, ONE STEP MITSUBISHI KASEI CORPORATION (JP) 1990-02-27 US disclosed
EP-0335046-A1 Method for producing 2,4-dihydroxyquinoline derivatives MITSUBISHI KASEI CORPORATION (JP) 1989-10-04 EP disclosed