SCHEMBL5325812

SCHEMBL5325812

O=C(O)C1CC1C(=O)N1CCCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.60
NOTUM Q6P988 1/20 0.57
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD11B1 P28845 1/20 0.54
CNR2 P34972 1/20 0.54
GAA P10253 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TSHR P16473 3/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL29353444 0.78 SMN1; SMN2 (0.77) POLBSMN1; SMN2NOTUMNPSR1HTT
SCHEMBL2829456 0.78 SMN1; SMN2 (0.77) POLBSMN1; SMN2NOTUMNPSR1HTT
Hydrochloric Acid SCHEMBL11845665 0.77 SMN1; SMN2 (0.74) POLBSMN1; SMN2NOTUMNPSR1HTT
SCHEMBL30592391 0.77 SMN1; SMN2 (0.74) POLBSMN1; SMN2NOTUMNPSR1HTT
SCHEMBL330273 0.77 SMN1; SMN2 (0.74) POLBSMN1; SMN2NOTUMNPSR1HTT
SCHEMBL10144052 0.77 POLB (1.00) POLBSMN1; SMN2NOTUMNPSR1HTT
SCHEMBL4019697 0.76 SMN1; SMN2 (0.79) POLBSMN1; SMN2NOTUMNPSR1HTT
SCHEMBL11326409 0.75 SMN1; SMN2 (0.83) POLBSMN1; SMN2NOTUMNPSR1HTT
SCHEMBL8668250 0.75 POLB (0.46) POLBTDP1SMN1; SMN2NOTUMNPSR1
SCHEMBL4291340 0.75 SMN1; SMN2 (0.77) POLBSMN1; SMN2NOTUMNPSR1HTT

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-2007146230-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-12-21 WO disclosed