SCHEMBL7366613

SCHEMBL7366613

CC(C)(C)c1ccc(C(=O)NNc2ccccc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
HDAC1 Q13547 7/20 0.54
HDAC3 O15379 4/20 0.54
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
PTGS1 P23219 1/20 0.52
NPC1 O15118 1/20 0.52
GLA P06280 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.49
HDAC2 Q92769 3/20 0.49
MAPK1 P28482 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL5223727 0.84 PTGS1 (0.72) HDAC1HDAC3ALDH1A1RAB9APTGS1
SCHEMBL6656632 0.79 MAPK13 (0.73) GAAHDAC1HDAC3ALDH1A1RAB9A
SCHEMBL14438185 0.76 POLB (0.81) GAAHDAC1HDAC3ALDH1A1RAB9A
SCHEMBL6171308 0.76 RAB9A (0.60) GAAHDAC1HDAC3ALDH1A1RAB9A
SCHEMBL5224950 0.75 RAB9A (0.68) GAAHDAC1ALDH1A1RAB9APTGS1
SCHEMBL7291942 0.75 RAB9A (0.64) GAAHDAC1HDAC3ALDH1A1RAB9A
SCHEMBL28172416 0.74 PTGS2 (0.70) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL12963543 0.74 PTGS1 (0.70) HDAC1HDAC3ALDH1A1RAB9APTGS1
SCHEMBL6585730 0.73 CA1 (0.59) GAAHDAC1HDAC3ALDH1A1RAB9A
SCHEMBL7302098 0.73 PDCD1 (0.68) ALDH1A1RAB9ANPC1GLAATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed