SCHEMBL5224950

SCHEMBL5224950

CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.68
NPC1 O15118 2/20 0.68
ALDH1A1 P00352 1/20 0.68
GLA P06280 1/20 0.68
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
MAPT P10636 1/20 0.63
RECQL P46063 1/20 0.63
NR1H4 Q96RI1 3/20 0.61
EPHX2 P34913 1/20 0.57
PPARG P37231 2/20 0.56
PTGS1 P23219 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
ESRRG P62508 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.55

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
SCHEMBL5223315 0.88 RAB9A (0.73) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL17744864 0.88 MEN1 (0.66) RAB9ANPC1MAPTPTGS1MEN1
SCHEMBL5223727 0.87 PTGS1 (0.72) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL5224891 0.87 RAB9A (0.59) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL7300203 0.83 MEN1 (0.76) RAB9ANPC1CA1CA2NR1H4
SCHEMBL7301203 0.83 MEN1 (0.76) RAB9ANPC1CA1CA2NR1H4
SCHEMBL10373756 0.83 GAA (0.57) RAB9ANPC1CA1CA2MAPT
SCHEMBL5225162 0.82 NPC1 (0.69) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL7295433 0.82 RAB9A (0.69) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL7295495 0.82 POLB (0.72) RAB9ANPC1ALDH1A1GLAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed