SCHEMBL19844455

SCHEMBL19844455

FC(F)(F)c1ccc(N=Nc2ccc(N=Nc3ccc(N4CCSC4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.43
▸ NOTUM Q6P988 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ DHFR P00374 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34

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 0.91 DPP4 (0.39) DPP4NOTUMCA12CA2CA9
SCHEMBL19823017 0.91 CA12 (0.44) DPP4NOTUMCA12CA2CA9
SCHEMBL19844473 0.90 DPP4 (0.39) DPP4NOTUMCA12CA2CA9
SCHEMBL17278980 0.87 CA12 (0.41) DPP4NOTUMCA12CA2CA9
SCHEMBL28218874 0.80 CA12 (0.51) DPP4NOTUMCA12CA2CA9
SCHEMBL19850678 0.80 MEN1 (0.41) CA12CA2CA9MAPTNPC1
SCHEMBL19844460 0.80 ADRB1 (0.41) AKR1C3MAPTNPC1MAPK1RAB9A
SCHEMBL19844456 0.79 MLYCD (0.41) DPP4NOTUMAKR1C3MAPTNPSR1
SCHEMBL17368563 0.79 CA12 (0.47) NOTUMCA12CA2CA9AKR1C3
SCHEMBL12069818 0.79 CA12 (0.47) NOTUMCA12CA2CA9AKR1C3

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
Send feedback