SCHEMBL8539332

SCHEMBL8539332

O=C(O)NCc1cccc(C2CCCN2Cc2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
OPRK1 P41145 5/20 0.47
OPRM1 P35372 4/20 0.47
OPRD1 P41143 2/20 0.47
ADAM17 P78536 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL8537772 0.90 ALDH1A1 (0.47) KDM4EALDH1A1HTTGAATSHR
SCHEMBL8539779 0.82 KDM4E (0.60) KDM4EPOLBALDH1A1HTTGAA
SCHEMBL8543060 0.82 ADAM17 (0.45) KDM4EALDH1A1SMN1; SMN2HPGDOPRK1
SCHEMBL8540442 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2OPRK1OPRM1OPRD1
SCHEMBL8542198 0.79 KDM4E (0.57) KDM4EPOLBALDH1A1HTTGAA
SCHEMBL8539612 0.77 KDM4E (0.78) KDM4EPOLBALDH1A1HTTGAA
SCHEMBL8543401 0.76 USP2 (0.47) KDM4EPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL28508997 0.76 ALDH1A1 (0.72) KDM4EALDH1A1HTTGAATSHR
SCHEMBL28503664 0.76 ALDH1A1 (0.72) KDM4EALDH1A1HTTGAATSHR
SCHEMBL29683884 0.76 ALDH1A1 (0.72) KDM4EALDH1A1HTTGAATSHR

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
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed