SCHEMBL5356744

SCHEMBL5356744

O=C(S)N1CCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
NOTUM Q6P988 1/20 0.70
SIGMAR1 Q99720 1/20 0.64
HTT P42858 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MGLL Q99685 1/20 0.58
RECQL P46063 1/20 0.57

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
SCHEMBL14935231 0.89 NOTUM (0.68) SMN1; SMN2NOTUMSIGMAR1ALDH1A1MAPT
SCHEMBL4019697 0.85 SMN1; SMN2 (0.79) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL29353444 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL2829456 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL4291340 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL3120560 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL4295603 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL330273 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
Hydrochloric Acid SCHEMBL11845665 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL771590 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1

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 claimed