SCHEMBL4784017

SCHEMBL4784017

OCCN1CCN(c2nc(-c3cccc(O)c3)nc(N3Cc4ccccc4C[C@@H]3CO)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
PIK3CA P42336 10/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTOR P42345 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4781513 0.93 PIK3CA (0.42) HTR2APIK3CAKDM4EMEN1KMT2A
SCHEMBL4783926 0.91 HRH4 (0.44) PIK3CASMN1; SMN2MTORCYP2C19ADORA3
SCHEMBL4785845 0.91 HRH4 (0.44) PIK3CASMN1; SMN2MTORCYP2C19ADORA3
SCHEMBL4846093 0.91 HRH4 (0.44) PIK3CASMN1; SMN2MTORCYP2C19ADORA3
SCHEMBL4782301 0.89 PIK3CA (0.43) PIK3CAMEN1KMT2AMTORADORA3
SCHEMBL4784653 0.88 ADORA3 (0.43) PIK3CASMN1; SMN2MTORCYP2C19ADORA3
SCHEMBL4784808 0.88 PIK3CA (0.39) PIK3CAMTORADORA3ADORA1
SCHEMBL4784093 0.87 PIK3CA (0.43) PIK3CAKMT2AALDH1A1MTOR
SCHEMBL4785240 0.87 PIK3CA (0.58) PIK3CAKMT2AMTOR
SCHEMBL4782727 0.87 PIK3CA (0.58) PIK3CAKMT2AMTOR

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
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO claimed
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed