SCHEMBL2551145

SCHEMBL2551145

O=C(O)NCCc1nc2cc(F)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CTSS P25774 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.46
IDO1 P14902 1/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
F9 P00740 1/20 0.45

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
SCHEMBL17513340 0.84 HTT (0.51) HTTSMN1; SMN2GAATSHRRECQL
SCHEMBL16176491 0.84 HTT (0.51) HTTSMN1; SMN2GAATSHRRECQL
SCHEMBL16176662 0.81 THRB (0.60) HTTSMN1; SMN2POLBLMNATHRB
SCHEMBL10454789 0.80 HTT (0.76) HTTSMN1; SMN2GAATSHRRECQL
SCHEMBL16176523 0.79 ALDH1A1 (0.61) HTTSMN1; SMN2POLBLMNATHRB
SCHEMBL9513404 0.79 TSHR (0.47) SMN1; SMN2TSHRLMNAIDO1MAPT
SCHEMBL13406268 0.78 TP53 (0.61) SMN1; SMN2CTSSLMNATHRBMAPT
SCHEMBL16176294 0.78 PRKAG1 (0.68) HTTSMN1; SMN2GAATSHRRECQL
SCHEMBL13406272 0.78 CTSS (0.59) CTSSLMNATHRBMAPTALDH1A1
SCHEMBL13406273 0.77 CTSS (0.58) SMN1; SMN2CTSSLMNATHRBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed