SCHEMBL19365366

SCHEMBL19365366

CCc1cccc(CC)c1NC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1[C@@H]2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ MTOR P42345 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ KDM1A O60341 3/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ UBE2M P61081 2/20 0.34
▸ DCUN1D1 Q96GG9 2/20 0.34
▸ KMO O15229 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL19365368 0.85 TRPA1 (0.38) MAPTMTORTRPA1TRPV3TRPV4
SCHEMBL19670214 0.84 TRPA1 (0.38) MAPTMTORTRPA1TRPV3TRPV4
SCHEMBL16238261 0.83 KMT2A (0.39) MAPTTRPA1TRPV3TRPV4KDM1A
SCHEMBL19670221 0.80 UBE2M (0.37) MAPTMTORTRPA1TRPV3TRPV4
SCHEMBL17618399 0.79 KMT2A (0.38) MAPTKDM1AMAOAMAOBMEN1
SCHEMBL19705998 0.77 TRPA1 (0.38) MAPTTRPA1TRPV3TRPV4KDM1A
SCHEMBL19670123 0.76 TRPA1 (0.37) MAPTTRPA1TRPV3TRPV4KDM1A
SCHEMBL19670497 0.76 MAPT (0.45) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL19670209 0.74 CNR2 (0.36) MAPTMTORTRPV3KDM1AMAOA
SCHEMBL16775878 0.73 KMO (0.38) TRPA1TRPV3TRPV4KDM1AJAK2

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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