SCHEMBL23544437

SCHEMBL23544437

C=C(/C=C\C)N(c1ccc(N(c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1)c1cccc(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 3/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ MAPT P10636 2/20 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
SCHEMBL19427200 0.91 PTGIR (0.33) PTGIRTRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL17246801 0.90 CYP3A4 (0.33) PTGIRTRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL21563899 0.88 PTGIR (0.33) PTGIRTRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL18884629 0.88 PTGIR (0.33) PTGIRTRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL12957651 0.88 HSD17B1 (0.33) PTGIRTRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL13072311 0.87 CYP3A4 (0.34) PTGIRTRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL18786358 0.83 TRPM8 (0.32) PTGIRTRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL22780756 0.82 HSD17B1 (0.36) PTGIRTRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL15393671 0.81 TRPM8 (0.40) PTGIRTRPM8ALDH1A1RAB9ANPC1
SCHEMBL22417753 0.80 KMT2A (0.37) TRPM8CYP3A4CYP2C9CYP2C19ALDH1A1

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-3112439-B1 LUMINESCENT MATERIAL, ORGANIC LUMINESCENT ELEMENT, AND COMPOUND KYULUX INC (JP) 2021-06-23 — — EP disclosed
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