SCHEMBL4741002

SCHEMBL4741002

[CH2]c1oc2ccccc2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAOA P21397 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
PGAM1 P18669 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KCNH2 Q12809 1/20 0.41
HTT P42858 2/20 0.40
RECQL P46063 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL30028309 0.76 ALDH2 (0.52) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL183071 0.76 ALDH2 (0.52) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL19233727 0.73 KDM4E (0.47) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL6002998 0.73 ALDH1A1 (0.48) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL20657033 0.73 KDM4E (0.55) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL2450078 0.73 KDM4E (0.71) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL4449379 0.73 KDM4E (0.46) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL19088878 0.73 KDM4E (0.46) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL18892996 0.72 L3MBTL1 (0.51) SMN1; SMN2MAOAKDM4EALDH1A1HPGD
SCHEMBL4742417 0.72 KDM4E (0.42) SMN1; SMN2MAOAKDM4EALDH1A1HPGD

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-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed