SCHEMBL23182985

SCHEMBL23182985

CNC(=O)c1ccc(C(C)(C)C)nc1Oc1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.38
▸ MMP13 P45452 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CRHR1 P34998 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ ULK1 O75385 1/20 0.33
▸ LCK P06239 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL20350431 0.86 MAPT (0.37) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17646572 0.86 MEN1 (0.38) LMNASMN1; SMN2CRHR1MEN1GAA
SCHEMBL17648477 0.85 NNMT (0.38) F10NPC1LMNARAB9ASMN1; SMN2
SCHEMBL29917985 0.85 NNMT (0.38) F10NPC1LMNARAB9ASMN1; SMN2
SCHEMBL17649319 0.82 FLT1 (0.48) FLT1FLT4KDRMEN1KMT2A
SCHEMBL29918097 0.81 PTGS2 (0.48) LMNAFLT1FLT4KDRMEN1
SCHEMBL17646596 0.81 PTGS2 (0.48) LMNAFLT1FLT4KDRMEN1
SCHEMBL29917505 0.81 FLT1 (0.47) LMNASMN1; SMN2FLT1FLT4KDR
SCHEMBL17648576 0.81 FLT1 (0.47) LMNASMN1; SMN2FLT1FLT4KDR
SCHEMBL17648398 0.80 FLT1 (0.41) NPC1LMNARAB9AFLT1FLT4

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
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 — — EP disclosed
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