SCHEMBL15741306

SCHEMBL15741306

O=[N+]([O-])c1ccccc1-c1cc2ccn3c4ccccc4c(c1)c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GUSB P08236 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ C1R P00736 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ HPRT1 P00492 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ QPCT Q16769 1/20 0.34

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
SCHEMBL15741228 0.87 GABRA1 (0.35) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL19725228 0.81 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTGUSB
SCHEMBL15741429 0.76 KMT2A (0.39) ALDH1A1TDP1LMNAMAPTGUSB
SCHEMBL15741390 0.75 ALDH1A1 (0.41) ALDH1A1TDP1LMNAMAPTGUSB
SCHEMBL11921490 0.73 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTGUSB
SCHEMBL19564390 0.73 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMAPTGUSB
SCHEMBL24161835 0.72 ALDH1A1 (0.46) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL17029039 0.71 ALDH1A1 (0.45) ALDH1A1TDP1LMNAMAPTGUSB
SCHEMBL9761836 0.71 ALDH1A1 (0.76) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL16138583 0.71 ALDH1A1 (0.40) ALDH1A1TDP1LMNAMAPTMEN1

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-2014081131-A1 ORGANIC COMPOUND, AND ORGANIC ELECTRO-LUMINESCENCE DEVICE COMPRISING SAME 주식회사 두산 (KR) 2014-05-30 — — WO disclosed
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