SCHEMBL18879087

SCHEMBL18879087

NNC(=O)c1cc(-c2ccc(C#Cc3ccc(N(C=O)CC(N)C(=O)O)cc3Cl)cc2)nc2ccncc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ P4HB P07237 1/20 0.35
▸ TACR3 P29371 6/20 0.33
▸ TP53 P04637 2/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TACR2 P21452 2/20 0.31
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL15905497 0.85 MAPT (0.35) MAPTGAALMNAALDH1A1P4HB
SCHEMBL15905560 0.84 ALDH1A1 (0.33) MAPTGAALMNAALDH1A1P4HB
SCHEMBL15919298 0.84 TACR3 (0.36) MAPTGAALMNAALDH1A1P4HB
Hydrochloric Acid SCHEMBL17313841 0.83 TACR3 (0.35) MAPTGAALMNAALDH1A1P4HB
SCHEMBL15905132 0.83 TACR3 (0.37) MAPTGAALMNAALDH1A1P4HB
SCHEMBL15919652 0.82 LMNA (0.36) MAPTGAALMNAALDH1A1P4HB
Hydrochloric Acid SCHEMBL17313777 0.81 LMNA (0.36) MAPTGAALMNAALDH1A1P4HB
SCHEMBL15919401 0.79 TACR3 (0.38) MAPTGAALMNAALDH1A1P4HB
SCHEMBL17327500 0.78 TACR3 (0.34) MAPTGAAALDH1A1TACR3TP53
SCHEMBL15905000 0.78 ALDH1A1 (0.39) MAPTGAALMNAALDH1A1P4HB

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US claimed
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