SCHEMBL19844473

SCHEMBL19844473

FC(F)(F)c1ccc(N=Nc2ccc(N=Nc3ccc(N4CCCCSC4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ AKR1C3 P42330 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ HPGD P15428 2/20 0.33

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
SCHEMBL19844470 0.96 DPP4 (0.39) DPP4NOTUMMAPK1MAPTNPSR1
SCHEMBL19844455 0.90 DPP4 (0.43) DPP4NOTUMMAPK1MAPTNPSR1
SCHEMBL12069818 0.85 CA12 (0.47) NOTUMMAPK1MAPTNPSR1NPC1
SCHEMBL17368563 0.85 CA12 (0.47) NOTUMMAPK1MAPTNPSR1NPC1
SCHEMBL19823017 0.81 CA12 (0.44) DPP4NOTUMMAPK1MAPTNPSR1
SCHEMBL17278980 0.77 CA12 (0.41) DPP4NOTUMMAPTNPSR1CA12
SCHEMBL19648915 0.77 CA2 (0.44) MAPK1MAPTNPSR1NPC1RAB9A
SCHEMBL19844466 0.75 AKR1C3 (0.44) NOTUMMAPK1MAPTNPSR1NPC1
SCHEMBL13285321 0.75 CA12 (0.56) NOTUMMAPK1MAPTNPSR1NPC1
SCHEMBL12069757 0.74 BRD4 (0.42) MAPK1MAPTNPSR1NPC1RAB9A

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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