SCHEMBL14899738

SCHEMBL14899738

Cc1cc(F)cc(-n2ncc(N3CCN(C)CC3)c(OCC3(c4ccccc4)CC3)c2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPBWR1 P48145 4/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ TACR1 P25103 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 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
SCHEMBL17058361 0.86 ALDH1A1 (0.38) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL17057795 0.85 SLC2A1 (0.37) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL11944345 0.85 ALDH1A1 (0.49) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL17058090 0.84 ALDH1A1 (0.38) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL11944484 0.83 MAPT (0.41) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL11944867 0.83 MAPT (0.41) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL14899779 0.81 ALDH1A1 (0.37) SMN1; SMN2LMNAKMT2AALDH1A1SLC2A1
SCHEMBL11944344 0.81 MAPT (0.41) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL11944356 0.80 MAPT (0.40) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL11946125 0.78 POLB (0.40) SMN1; SMN2POLBLMNAKMT2ANPBWR1

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
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
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