SCHEMBL19844446

SCHEMBL19844446

FC(F)(F)c1ccc(N=Nc2ccc(N=Nc3ccc(N4CCOC4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL18409048 0.92 AKR1C3 (0.57) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL12069726 0.92 AKR1C3 (0.57) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL19844479 0.91 AKR1C3 (0.45) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL19844466 0.90 AKR1C3 (0.44) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL19844481 0.89 AKR1C3 (0.43) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL17278976 0.88 AKR1C3 (0.54) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL19844471 0.84 AKR1C3 (0.42) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL19648735 0.84 MAPT (0.52) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2203983 0.82 AKR1C3 (0.68) AKR1C3ALDH1A1MAPTHPGDLMNA
SCHEMBL19850637 0.81 PRKDC (0.45) ALDH1A1MAPTSMN1; SMN2HPGDTHRB

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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