SCHEMBL19670464

SCHEMBL19670464

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(C2(C(F)(F)F)N=N2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KIF18A Q8NI77 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ RHOA P61586 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35

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
SCHEMBL19365904 0.88 MAPT (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16776084 0.85 GRIN2B (0.38) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19365254 0.85 HTR2C (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19365708 0.84 MAPT (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19365568 0.84 RHOA (0.50) MAPTMEN1KMT2AALDH1A1FYN
SCHEMBL16238556 0.84 IDH2 (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17618579 0.83 IDH2 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20632111 0.83 MAPT (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19365595 0.82 MAPT (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19670411 0.81 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1CA2

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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