SCHEMBL19844477

SCHEMBL19844477

O=C(CO)c1ccc(N=Nc2ccc(N=Nc3ccc(N4CCSC4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ DPP4 P27487 2/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ TRPA1 O75762 1/20 0.32

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
SCHEMBL19850679 0.85 TRPA1 (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL19844476 0.84 HSD17B3 (0.43) ALDH1A1HDAC1HDAC8
SCHEMBL19844461 0.83 CYP1A1 (0.49) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL19844462 0.81 KMT2A (0.37) GSK3BMAPTALDH1A1HDAC1HDAC8
SCHEMBL19844475 0.80 CHKA (0.41) MAPTALDH1A1AKR1C3DPP4
SCHEMBL19850680 0.80 RAB9A (0.52) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL19844456 0.80 MLYCD (0.41) MAPTALDH1A1AKR1C3GAACYP1A1
SCHEMBL19823010 0.79 GSK3B (0.61) GSK3BMAPTALDH1A1HDAC8MEN1
SCHEMBL19850678 0.78 MEN1 (0.41) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL19844452 0.76 GSK3B (0.54) GSK3BMAPTALDH1A1HDAC8MEN1

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
US-10023743-B2 Dichroic pigment compounds and compositions containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-07-17 — — US disclosed
US-20180037739-A1 COMPOUND AND COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-08 — — US disclosed
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