SCHEMBL30042745

SCHEMBL30042745

O=[N+]([O-])c1ccc(F)c(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ VCP P55072 2/20 0.57
▸ KIF11 P52732 1/20 0.54
▸ CSNK2A1 P68400 3/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ CSNK2A2 P19784 1/20 0.50
▸ CSNK2B P67870 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ MPO P05164 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL23540008 1.00 MAPT (0.58) MAPTNPSR1VCPKIF11CSNK2A1
SCHEMBL23540004 0.86 VCP (0.54) MAPTNPSR1VCPKIF11CSNK2A1
SCHEMBL7268473 0.85 MAPT (0.72) MAPTNPSR1VCPKIF11CSNK2A1
SCHEMBL30041778 0.85 CSNK2A1 (0.74) MAPTNPSR1VCPCSNK2A1MEN1
SCHEMBL7268480 0.85 CSNK2A1 (0.74) MAPTNPSR1VCPCSNK2A1MEN1
SCHEMBL23539769 0.82 MAPT (0.58) MAPTNPSR1VCPKIF11CSNK2A1
SCHEMBL23539682 0.82 VCP (0.62) MAPTNPSR1VCPMEN1KMT2A
SCHEMBL23554143 0.81 VCP (0.61) MAPTNPSR1VCPMEN1KMT2A
SCHEMBL23554215 0.81 VCP (0.61) MAPTNPSR1VCPMEN1KMT2A
SCHEMBL30041515 0.81 VCP (0.61) MAPTNPSR1VCPMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279741-A 4-phenyl-N- (phenyl) thiazol-2-amine derivatives and related compounds as Aryl Hydrocarbon Receptor (AHR) agonists for the treatment of, for example, angiogenesis-related disorders or inflammatory disorders 医肯纳肿瘤学公司 2022-11-01 — — CN disclosed
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