SCHEMBL7105933

SCHEMBL7105933

N#Cc1ccc(CC(=O)NC2CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 2/20 0.54
EPHX2 P34913 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
OGA O60502 1/20 0.50
EPHX1 P07099 1/20 0.50
PRKAA2 P54646 1/20 0.48
USP30 Q70CQ3 2/20 0.48
MAPK8 P45983 1/20 0.48
CTBP2 P56545 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL7873764 0.92 NPC1 (0.68) LMNANPC1RAB9APOLBEPHX2
SCHEMBL18648120 0.92 NPC1 (0.68) LMNANPC1RAB9APOLBEPHX2
SCHEMBL3026453 0.91 KDM1A (0.53) LMNANPC1RAB9APOLBEPHX2
SCHEMBL17729947 0.88 EPHX2 (0.52) LMNANPC1RAB9AEPHX2MEN1
SCHEMBL17729946 0.88 EPHX2 (0.52) LMNANPC1RAB9AEPHX2MEN1
SCHEMBL3637147 0.84 L3MBTL1 (0.57) OGAPRKAA2USP30SIGMAR1
SCHEMBL3643385 0.83 L3MBTL1 (0.56) OGAPRKAA2SIGMAR1
SCHEMBL3638459 0.82 OGA (0.55) OGAPRKAA2SIGMAR1
Hydrochloric Acid SCHEMBL4209320 0.82 L3MBTL1 (0.55) OGAPRKAA2SIGMAR1
SCHEMBL16447592 0.81 ME3 (0.57) POLBOGAPRKAA2SIGMAR1

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-2003101941-A2 ALPHA ACYLOXYACETAMIDES FOR KALLIKREIN AND UROKINASE INHIBITION GENZYME CORPORATION (US) 2003-12-11 WO disclosed