SCHEMBL19670383

SCHEMBL19670383

CCN1CC[C@@H](C)N(C(=O)Nc2cncc(F)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc2S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ UBE2M P61081 2/20 0.36
▸ DCUN1D1 Q96GG9 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ GAA P10253 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
SCHEMBL19365507 0.91 MAPT (0.37) MEN1KMT2AMAPTLMNAHTT
SCHEMBL16238347 0.84 MEN1 (0.39) MEN1KMT2AUBE2MDCUN1D1MAPT
SCHEMBL19365595 0.84 MAPT (0.38) MEN1KMT2AMAPTLMNAHTT
SCHEMBL19706097 0.81 MEN1 (0.37) MEN1KMT2AUBE2MDCUN1D1MAPT
SCHEMBL19706091 0.79 ADORA2A (0.32) —
SCHEMBL16775854 0.79 SLC5A1 (0.37) MEN1KMT2AMAPTLMNAHTT
SCHEMBL19670644 0.78 HSD17B10 (0.37) MEN1KMT2AUBE2MDCUN1D1MAPT
SCHEMBL17618702 0.77 MEN1 (0.39) MEN1KMT2AMAPTLMNAHTT
SCHEMBL19670179 0.77 HTR2C (0.46) MEN1KMT2AUBE2MDCUN1D1TRPV1
SCHEMBL19365333 0.76 KDM1A (0.39) MEN1KMT2AMAPTLMNAHTT

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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