SCHEMBL22280443

SCHEMBL22280443

CNc1ccc(-c2noc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
HDAC4 P56524 3/20 0.49
HPGDS O60760 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HSD11B1 P28845 4/20 0.46
ALDH1A1 P00352 3/20 0.45
GPR119 Q8TDV5 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
BMP1 P13497 1/20 0.44
GRM5 P41594 1/20 0.43
CLPP Q16740 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL22280307 0.88 MAPK1 (0.50) HDAC6HDAC4HPGDSHDAC8ALDH1A1
SCHEMBL29522942 0.86 CYP1A2 (0.47) HDAC6HDAC4HPGDSHDAC8HSD11B1
SCHEMBL29523928 0.86 SMO (0.47) HDAC6HDAC4HPGDSHDAC8HSD11B1
SCHEMBL29522926 0.85 HDAC6 (0.43) HDAC6HDAC4HPGDSHDAC8HSD11B1
SCHEMBL29523359 0.85 PIK3CD (0.53) HDAC6HDAC4HPGDSHDAC8HSD11B1
SCHEMBL22280559 0.85 LMNA (0.47) HDAC6HDAC4HPGDSHDAC8HSD11B1
SCHEMBL29523141 0.85 LMNA (0.47) HDAC6HDAC4HPGDSHDAC8HSD11B1
SCHEMBL22280326 0.84 HDAC4 (0.60) HDAC6HDAC4HSD11B1ALDH1A1GPR119
SCHEMBL22280590 0.84 LMNA (0.57) HDAC6HDAC4ALDH1A1GPR119SMN1; SMN2
SCHEMBL22280276 0.84 LMNA (0.57) HDAC6HDAC4ALDH1A1GPR119SMN1; SMN2

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
WO-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed