SCHEMBL9322209

SCHEMBL9322209

CC(C)OCCNc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.46
HCAR3 P49019 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PAX8 Q06710 1/20 0.44
MAPK1 P28482 2/20 0.44
NAMPT P43490 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
MITF O75030 1/20 0.42
FNTA P49354 1/20 0.42

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
SCHEMBL1734102 0.86 POLB (0.60) KMT2AHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL23632182 0.85 POLB (0.44) KMT2ATSHRPOLBHCAR3CA1
SCHEMBL751536 0.81 HCAR3 (0.60) SMN1; SMN2TSHRPOLBHCAR3ALDH1A1
SCHEMBL20372325 0.79 MAPT (0.50) HTTL3MBTL1ALDH1A1PAX8MAPK1
SCHEMBL9365801 0.79 POLB (0.47) KMT2ATSHRPOLBHCAR3ALDH1A1
SCHEMBL14558232 0.77 POLB (0.45) KMT2ASMN1; SMN2TSHRPOLBHCAR3
SCHEMBL17075508 0.76 HCAR3 (0.48) CSNK2A2CSNK2BCSNK2A1TSHRL3MBTL1
SCHEMBL4953967 0.76 CETP (0.42) KMT2AHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL5586084 0.76 POLB (0.42) SMN1; SMN2TSHRPOLBHCAR3ALDH1A1
Hydrochloric Acid SCHEMBL9335654 0.76 KMT2A (0.60) KMT2AHTTSMN1; SMN2TSHRALDH1A1

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
US-5286728-A Amino-substituted piperazine derivatives CIBA-GEIGY CORPORATION (US) 1994-02-15 US disclosed
EP-0524146-A1 Aminosubstituted Piperazinederivatives CIBA-GEIGY AG (CH) 1993-01-20 EP disclosed