SCHEMBL22280529

SCHEMBL22280529

Cc1ccc(-c2noc(CCCN(C)C(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC1 Q13547 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ LMNA P02545 5/20 0.51
▸ HTT P42858 4/20 0.51
▸ TSHR P16473 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL14679172 0.86 LMNA (0.57) MAPTLMNAHTTTSHRHPGD
SCHEMBL29496372 0.86 SPHK1 (0.53) HDAC2HDAC8HDAC1LMNATSHR
SCHEMBL22280639 0.78 TP53 (0.49) HDAC2HDAC8HDAC1MAPTLMNA
SCHEMBL14679175 0.76 MAPT (0.58) HDAC2HDAC8HDAC1MAPTLMNA
SCHEMBL25802137 0.75 MAPT (0.50) HDAC2HDAC8HDAC1MAPTLMNA
SCHEMBL3107401 0.74 LMNA (0.45) MAPTLMNAHTTTSHRMAPK1
SCHEMBL24326607 0.74 ALDH1A1 (0.77) HDAC2HDAC8HDAC1MAPTLMNA
SCHEMBL14679174 0.74 MAPT (0.66) HDAC2HDAC8HDAC1MAPTTSHR
SCHEMBL15264021 0.72 KCNH2 (0.42) HDAC2HDAC1LMNAL3MBTL1NPC1
SCHEMBL24326634 0.71 TDP1 (0.69) HDAC2HDAC8HDAC1MAPTLMNA

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
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