SCHEMBL19670195

SCHEMBL19670195

O=C(Nc1ncccn1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCCC1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.43
▸ TRPV3 Q8NET8 2/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ ACACB O00763 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL16754616 1.00 MAP4K4 (0.43) MAP4K4TRPV3EIF2AK4SCN10AACACB
SCHEMBL16754409 1.00 MAP4K4 (0.43) MAP4K4TRPV3EIF2AK4SCN10AACACB
SCHEMBL19365688 1.00 MAP4K4 (0.43) MAP4K4TRPV3EIF2AK4SCN10AACACB
SCHEMBL19365533 0.91 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4SCN10APDE10A
SCHEMBL17778601 0.91 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4SCN10APDE10A
SCHEMBL16249990 0.91 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4SCN10APDE10A
SCHEMBL19669086 0.91 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4SCN10APDE10A
SCHEMBL16754714 0.91 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4SCN10APDE10A
SCHEMBL17778529 0.89 DGAT2 (0.41) MAP4K4TRPV3EIF2AK4PDE10ADGAT2
SCHEMBL16754489 0.89 DGAT2 (0.41) MAP4K4TRPV3EIF2AK4PDE10ADGAT2

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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