SCHEMBL20141475

SCHEMBL20141475

O=C(O)N1CCn2c(nc3ccccc32)C1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.77
ALDH1A1 P00352 2/20 0.67
HTT P42858 1/20 0.66
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 1/20 0.58
GRM2 Q14416 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 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
SCHEMBL31029003 0.83 TSHR (0.66) TSHRALDH1A1HTTMAPTPOLB
SCHEMBL9931472 0.80 TSHR (0.52) TSHRALDH1A1HTTMAPTPOLB
SCHEMBL14953233 0.78 ALDH1A1 (0.50) TSHRALDH1A1HTTMAPTPOLB
SCHEMBL17809495 0.74 GRM2 (0.58) TSHRALDH1A1HTTL3MBTL1GRM2
SCHEMBL12369545 0.73 POLB (0.60) TSHRALDH1A1HTTMAPTPOLB
SCHEMBL24187304 0.72 TSHR (0.52) TSHRALDH1A1HTTMAPTPOLB
SCHEMBL8355374 0.71 GRM2 (0.50) TSHRALDH1A1HTTL3MBTL1GRM2
SCHEMBL20082374 0.71 TSHR (0.51) TSHRALDH1A1HTTMAPTPOLB
SCHEMBL14191672 0.71 ALDH1A1 (0.56) TSHRALDH1A1HTTMAPTL3MBTL1
SCHEMBL5380065 0.71 SIGMAR1 (0.64)

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed