SCHEMBL19844471

SCHEMBL19844471

FC(F)(F)c1ccc(N=Nc2ccc(N=Nc3ccc(N4COCOC4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.42
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ SMN1; SMN2 Q16637 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
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL19844446 0.84 AKR1C3 (0.50) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL27918987 0.82 AKR1C3 (0.51) AKR1C3MAPTALDH1A1CA12CA2
SCHEMBL18409048 0.82 AKR1C3 (0.57) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL12069726 0.82 AKR1C3 (0.57) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL19844479 0.82 AKR1C3 (0.45) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL19844466 0.81 AKR1C3 (0.44) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL19844481 0.80 AKR1C3 (0.43) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL17278976 0.78 AKR1C3 (0.54) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL12069818 0.78 CA12 (0.47) AKR1C3MAPTALDH1A1NPSR1THRB
SCHEMBL17368563 0.78 CA12 (0.47) 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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