SCHEMBL19670634

SCHEMBL19670634

OC(Nc1cccnc1)N1c2nc(N3CCC[C@H](C(F)(F)F)C3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.39
▸ TRPV3 Q8NET8 2/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.37
▸ NAMPT P43490 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ IDH2 P48735 3/20 0.33
▸ GHSR Q92847 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ BTK Q06187 1/20 0.32

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
SCHEMBL19670401 1.00 MAP4K4 (0.39) MAP4K4TRPV3EIF2AK4NAMPTALDH1A1
SCHEMBL19670672 0.86 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4IDH2SCN10A
SCHEMBL19670506 0.86 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4IDH2SCN10A
SCHEMBL19670500 0.85 MAP4K4 (0.43) MAP4K4TRPV3EIF2AK4SCN10ABTK
SCHEMBL19670351 0.85 MAP4K4 (0.43) MAP4K4TRPV3EIF2AK4SCN10ABTK
SCHEMBL19670582 0.83 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4SCN10A
SCHEMBL16754312 0.82 TRPV1 (0.41) MAP4K4TRPV3EIF2AK4NAMPTALDH1A1
SCHEMBL19670296 0.82 TRPV1 (0.41) MAP4K4TRPV3EIF2AK4NAMPTALDH1A1
SCHEMBL19365684 0.82 TRPV1 (0.41) MAP4K4TRPV3EIF2AK4NAMPTALDH1A1
SCHEMBL16754618 0.82 TRPV1 (0.41) MAP4K4TRPV3EIF2AK4NAMPTALDH1A1

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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