SCHEMBL21078781

SCHEMBL21078781

CC(C)C(=O)NC1=CC(C(C)N)=CCN1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ RECQL P46063 2/20 0.31
▸ MDM4 O15151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ RCE1 Q9Y256 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
SCHEMBL21078731 0.78 — —
SCHEMBL21079002 0.73 HRH4 (0.31) —
SCHEMBL21078840 0.69 — —
SCHEMBL21079008 0.65 — —
SCHEMBL21078751 0.64 — —
SCHEMBL22809642 0.64 MAPT (0.33) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL1948876 0.59 KMT2A (0.67) KMT2AMAPTALDH1A1NPSR1CA12
SCHEMBL21078969 0.59 — —
SCHEMBL24557994 0.56 KMT2A (0.56) KMT2AMAPTALDH1A1NPSR1TSHR
SCHEMBL3078788 0.56 KMT2A (0.56) KMT2AMAPTALDH1A1NPSR1CA12

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-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 — — EP disclosed
Send feedback