SCHEMBL11745472

SCHEMBL11745472

CC(=O)n1cnnc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.38
MAPT P10636 5/20 0.38
F2 P00734 4/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KLK7 P49862 1/20 0.35
KLK14 Q9P0G3 1/20 0.35
KLK5 Q9Y337 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KCNJ1 P48048 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11745910 0.77 F2 (0.40) KMT2AMAPTF2TSHRGAA
SCHEMBL20455579 0.75
SCHEMBL11748002 0.71 MET (0.40) TSHRMAPK1ALDH1A1LMNA
SCHEMBL12081642 0.63 ALDH1A1 (0.56) KMT2AMAPTTSHRGAAALDH1A1
SCHEMBL6554973 0.61
SCHEMBL21066343 0.60 GAA (0.35) TSHRGAAALDH1A1SMN1; SMN2
SCHEMBL17865708 0.60
SCHEMBL3681812 0.57 TSHR (0.47) KMT2AMAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL22181333 0.55
SCHEMBL308271 0.51

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-4006159-A ACYL, VIRICIDES AMERICAN CYANAMID COMPANY (US) 1977-02-01 US disclosed