SCHEMBL20459281

SCHEMBL20459281

O=CN1c2ccccc2CC1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
XIAP P98170 2/20 0.51
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
MC4R P32245 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
FKBP1A P62942 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 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
SCHEMBL20459280 0.78 XIAP (0.59) LMNAXIAP
SCHEMBL5250841 0.72 ALDH1A1 (0.53) LMNAPOLBALDH1A1KMT2AFKBP1A
SCHEMBL21401325 0.71 FKBP1A (0.59) POLBALDH1A1HPGDUSP2NPSR1
SCHEMBL6380737 0.71 FKBP1A (0.59) POLBALDH1A1HPGDUSP2NPSR1
SCHEMBL21696512 0.70 HPGD (0.47) ALDH1A1HPGDUSP2MC4RNPSR1
SCHEMBL928146 0.69 LMNA (0.52) LMNAXIAPALDH1A1
SCHEMBL4235379 0.68 P2RX4 (0.66) LMNAALDH1A1MEN1GAAKMT2A
SCHEMBL5218354 0.68 NOTUM (0.41) ALDH1A1MEN1KMT2ATSHR
SCHEMBL14299315 0.67 P2RX7 (0.70) ALDH1A1
SCHEMBL17268009 0.67 ALDH1A1 (0.59) ALDH1A1HPGDUSP2KMT2ANPSR1

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
EP-2906535-B1 INDOLINES HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed