SCHEMBL11265038

SCHEMBL11265038

CN(C)CC(=O)Nc1nc2c(Cl)c3nc(NC(=O)CN(C)C)sc3c(C#N)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ HTT P42858 5/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ LMNA P02545 6/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ GLS O94925 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHEK1 O14757 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
SCHEMBL11253932 0.88 MAPT (0.46) MAPTHTTMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL11262657 0.86 MAPT (0.46) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL11257125 0.85 NPC1 (0.44) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL11260982 0.84 ALDH1A1 (0.41) MAPTHTTMEN1KMT2ALMNA
SCHEMBL11256003 0.83 MAPT (0.44) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL11257042 0.83 MAPT (0.41) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL11256038 0.82 MAPT (0.41) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL11259929 0.79 MAPT (0.55) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL11262070 0.77 ALDH1A1 (0.35) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL11265035 0.76 PIK3CD (0.35) MAPTHTTMEN1KMT2ANPSR1

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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