SCHEMBL3662753

SCHEMBL3662753

COc1ccc(Br)c(CCNC(=O)OCC(C)C)c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 5/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3661611 0.82 MTNR1A (0.44) SMN1; SMN2KMT2AMTNR1AMTNR1B
SCHEMBL12312065 0.81 DRD2 (0.43) MTNR1AMTNR1B
SCHEMBL25236544 0.76 HTR2A (0.55) SMN1; SMN2KMT2A
SCHEMBL16935807 0.75 CA12 (0.61) SMN1; SMN2LMNAALDH1A1KMT2AHTT
SCHEMBL31664344 0.71 KMT2A (0.53) SMN1; SMN2LMNAALDH1A1KMT2AGLA
SCHEMBL29037917 0.70 GLA (0.72) SMN1; SMN2LMNAALDH1A1KMT2AGLA
SCHEMBL17229314 0.70 HTR2A (0.37)
SCHEMBL17253669 0.68 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1GLAKDM4E
SCHEMBL1159713 0.68 KMT2A (0.63) SMN1; SMN2ALDH1A1KMT2AGLAMEN1
SCHEMBL3661730 0.67 TAAR1 (0.46) LMNAKMT2AGLATSHRMAPK1

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-2222671-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080728-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed