SCHEMBL19844479

SCHEMBL19844479

FC(F)(F)c1ccc(N=Nc2ccc(N=Nc3ccc(N4CCCOC4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.45
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NOTUM Q6P988 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MMP2 P08253 1/20 0.36

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
SCHEMBL19844466 0.96 AKR1C3 (0.44) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL19844481 0.94 AKR1C3 (0.43) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL19844446 0.91 AKR1C3 (0.50) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL18409048 0.83 AKR1C3 (0.57) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL12069726 0.83 AKR1C3 (0.57) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL17368563 0.83 CA12 (0.47) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL12069818 0.83 CA12 (0.47) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL19844471 0.82 AKR1C3 (0.42) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL17278976 0.79 AKR1C3 (0.54) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL19648735 0.76 MAPT (0.52) AKR1C3MAPTALDH1A1NPSR1THRB

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 4 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-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
US-20180037739-A1 COMPOUND AND COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-08 — — US disclosed
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