SCHEMBL7330778

SCHEMBL7330778

[CH2]C(C)C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MME P08473 1/20 0.58
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
SLC1A2 P43004 1/20 0.56
CYP3A4 P08684 1/20 0.56
MMP8 P22894 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN9A Q15858 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL8760 0.85 KMT2A (0.67) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL146434 0.83 KMT2A (0.65) KMT2AMMEMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL23235729 0.83 KMT2A (0.65) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL9062437 0.83 KMT2A (0.65) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL10405578 0.83 KMT2A (0.65) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL2236118 0.81 KMT2A (0.63) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL1790978 0.81 KMT2A (0.63) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL21538610 0.81 KMT2A (0.63) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL21538582 0.81 KMT2A (0.63) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL5023170 0.81 KMT2A (0.73) KMT2AMMEMEN1ALDH1A1MAPT

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-4474783-A CARDIAC DISEASES SYMPTOMIZED BY LOW CARIAC FLOW INNOTHERA (FR) 1984-10-02 US disclosed