SCHEMBL15088896

SCHEMBL15088896

Cc1ccnc(N2c3cc4c(cc3-c3cccc5cccc2c35)c2ccccc2n4-c2cc(C)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 4/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
S1PR4 O95977 1/20 0.39
PABPC1 P11940 1/20 0.39
S1PR1 P21453 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.31

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
SCHEMBL15089116 0.93 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKMT2ARAB9AGAA
SCHEMBL15089294 0.89 ALDH1A1 (0.39) SMN1; SMN2LMNAKMT2ARAB9AGAA
SCHEMBL15089036 0.87 ALDH1A1 (0.35) SMN1; SMN2LMNAKMT2ARAB9AGAA
SCHEMBL15088915 0.87 PDE6D (0.37) LMNAKMT2AGAAMEN1ALDH1A1
SCHEMBL15088906 0.85 KDM4E (0.46) SMN1; SMN2LMNAKMT2AGAAMEN1
SCHEMBL15088910 0.84 KDM4E (0.35) SMN1; SMN2LMNAKMT2AGAAMEN1
SCHEMBL15089204 0.84 PDE6D (0.38) SMN1; SMN2LMNAKMT2ARAB9AGAA
SCHEMBL15089153 0.83 KDM4E (0.41) SMN1; SMN2LMNAKMT2AGAAMEN1
SCHEMBL15088787 0.82 CYP11B1 (0.35) SMN1; SMN2RAB9AGAAMEN1MAPT
SCHEMBL15088924 0.82 PDE6D (0.36) SMN1; SMN2KMT2AGAAMEN1ALDH1A1

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed