SCHEMBL20920144

SCHEMBL20920144

S=C(Nc1ccccc1)NC1CCCCC1.c1ccc(CNC(=NC2CCCCC2)Nc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ LMNA P02545 6/20 0.57
▸ MAPT P10636 5/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ HTT P42858 3/20 0.53
▸ ALOX12 P18054 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ EPHX1 P07099 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49

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
SCHEMBL20920143 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMAPTKMT2AMAPK1
SCHEMBL7598632 0.83 EPHX1 (0.61) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL17187551 0.83 EPHX1 (0.61) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL19435743 0.83 EPHX1 (0.61) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5621854 0.79 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMAPTKMT2AMAPK1
SCHEMBL5621851 0.79 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMAPTKMT2AMAPK1
SCHEMBL5455050 0.79 SMN1; SMN2 (0.88) SMN1; SMN2LMNAMAPTKMT2AMAPK1
SCHEMBL9616079 0.78 SIGMAR1 (0.59) SMN1; SMN2LMNAMAPTKMT2AMAPK1
SCHEMBL9616080 0.78 SIGMAR1 (0.59) SMN1; SMN2LMNAMAPTKMT2AMAPK1
SCHEMBL5447885 0.78 SMN1; SMN2 (0.84) SMN1; SMN2LMNAMAPTKMT2AMAPK1

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
WO-2019078116-A1 SWEETNESS RECEPTOR ANTAGONIST 味の素株式会社 2019-04-25 — — WO disclosed
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