SCHEMBL28258588

SCHEMBL28258588

C[C@@H](NC(=O)C1CCN1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
KCNQ3 O43525 2/20 0.55
KCNQ2 O43526 2/20 0.55
LMNA P02545 2/20 0.52
EPHX1 P07099 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7313737 0.93 RECQL (0.62) RECQLUSP2ALOX15HPGDGAA
SCHEMBL976838 0.93 RECQL (0.62) RECQLUSP2ALOX15HPGDGAA
SCHEMBL7313727 0.93 RECQL (0.62) RECQLUSP2ALOX15HPGDGAA
Hydrochloric Acid SCHEMBL20489442 0.91 RECQL (0.61) RECQLUSP2ALOX15HPGDGAA
Hydrochloric Acid SCHEMBL20489447 0.91 RECQL (0.61) RECQLUSP2ALOX15HPGDGAA
Hydrochloric Acid SCHEMBL20489444 0.91 RECQL (0.61) RECQLUSP2ALOX15HPGDGAA
SCHEMBL10340446 0.82 RECQL (0.54) RECQLUSP2ALOX15HPGDGAA
SCHEMBL7309508 0.82 RECQL (0.54) RECQLUSP2ALOX15HPGDGAA
SCHEMBL7309515 0.82 RECQL (0.54) RECQLUSP2ALOX15HPGDGAA
SCHEMBL10340462 0.82 RECQL (0.54) RECQLUSP2ALOX15HPGDGAA

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-108892661-A Therapeutic compounds and composition 艾克赛特赫拉制药有限责任公司 2018-11-27 CN disclosed