SCHEMBL4786596

SCHEMBL4786596

C#Cc1ccccc1NC(=O)Nc1ccccc1C#C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
GAA P10253 5/20 0.56
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GLA P06280 1/20 0.50
CYP1A2 P05177 1/20 0.49
RECQL P46063 1/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CXCR2 P25025 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43

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
SCHEMBL483417 0.86 GAA (0.46) KDM4EGAAALDH1A1NPC1RAB9A
SCHEMBL11011942 0.86 GAA (0.48) KDM4EGAAALDH1A1SMN1; SMN2GLA
SCHEMBL3048096 0.84 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4862187 0.83 L3MBTL1 (0.54) KDM4EGAAALDH1A1SMN1; SMN2GLA
SCHEMBL11225958 0.83 RAB9A (0.62) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL13132543 0.83 NPC1 (0.57) KDM4EGAAALDH1A1NPC1RAB9A
SCHEMBL13132689 0.83 NPC1 (0.57) KDM4EGAAALDH1A1NPC1RAB9A
SCHEMBL5287605 0.82 CFD (0.61) KDM4EGAAALDH1A1SMN1; SMN2CA12
SCHEMBL28259226 0.81 GAA (0.42) KDM4EGAAALDH1A1NPC1RAB9A
SCHEMBL1542594 0.80 PDK1 (0.50) NPC1RAB9AHSD17B10MEN1KMT2A

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-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed