SCHEMBL13070402

SCHEMBL13070402

Cc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)c2ccccc2c2c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4c4ccccc4c32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ PAX8 Q06710 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL13070420 0.97 ALDH1A1 (0.36) SIGMAR1ACHEALDH1A1HPGDMAPT
SCHEMBL11962182 0.95 ACHE (0.41) SIGMAR1ACHEALDH1A1HPGDMAPT
SCHEMBL11962177 0.95 ACHE (0.41) SIGMAR1ACHEALDH1A1HPGDMAPT
SCHEMBL11962173 0.91 ACHE (0.44) SIGMAR1ACHEALDH1A1HPGDMAPT
SCHEMBL13196799 0.89 ALDH1A1 (0.41) SIGMAR1ACHEALDH1A1HPGDMAPT
SCHEMBL13070383 0.87 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13070138 0.86 ALDH1A1 (0.38) ACHEALDH1A1MAPTKDM4EMEN1
SCHEMBL13070387 0.86 ALDH1A1 (0.35) ACHEALDH1A1HPGDMAPTHSD17B10
SCHEMBL15200454 0.85 ALDH1A1 (0.43) ACHEALDH1A1HPGDMAPTHSD17B10
SCHEMBL15200474 0.85 ALDH1A1 (0.43) ACHEALDH1A1HPGDMAPTHSD17B10

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
EP-2248868-A1 LUMINESCENT ELEMENT MATERIAL AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2010-11-10 — — EP disclosed
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