SCHEMBL9504237

SCHEMBL9504237

CCn1nccc1C(=O)c1ccc(OC(Cl)C(=O)O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 5/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL10691860 0.89 MAPT (0.33) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL11455560 0.73 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL4410366 0.71 GSTP1 (0.45) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL11603769 0.71 THRB (0.52) SMN1; SMN2MAPTALDH1A1RAB9AHTT
SCHEMBL11419596 0.70 MAPT (0.49) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL9503246 0.70 MEN1 (0.47) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL11268947 0.69 HPGD (0.50) SMN1; SMN2MAPTKMT2AALDH1A1HPGD
SCHEMBL11603981 0.69 MAPT (0.38) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL9502467 0.69 MEN1 (0.52) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL10400883 0.69 MEN1 (0.48) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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-0414931-B1 HYPOTENSIVE AGENT TANABE SEIYAKU CO (JP) 1993-07-14 EP disclosed
EP-0414931-A1 Hypotensive agent TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 EP disclosed