SCHEMBL7649244

SCHEMBL7649244

COC(=O)C(CNc1ccccc1)C(C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL4026827 0.85 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5406742 0.82 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL5406733 0.82 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL10163173 0.78 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL6086624 0.77 MAPT (0.57) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL12549460 0.74 FNTA (0.53) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL4026649 0.74 KMT2A (0.46) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL27468769 0.73 GAA (0.49) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL27467389 0.73 GAA (0.49) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL11775007 0.72 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1RAB9A

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-6358978-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS (IN THE CASE OF INFLAMMATION), OSTEOARTHRITIS, ASTHMA, CARDIAC INFARCT, ALZHEIMER'S DISEASE, OR ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-19 US disclosed