SCHEMBL7370942

SCHEMBL7370942

Cc1ccc(S(=O)(=O)c2nc3ccc(C(=O)Nc4cccc(C(=O)c5ccc(C(C)(C)C)cc5)c4N)cc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.46
BRAF P15056 3/20 0.46
HDAC6 Q9UBN7 1/20 0.41
NR1H4 Q96RI1 5/20 0.40
PPARG P37231 3/20 0.40
LCK P06239 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
OPRK1 P41145 1/20 0.38
RAB9A P51151 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
SCHEMBL7371334 0.84 NR1H4 (0.54) NR1H4PPARGMEN1KMT2ASMN1; SMN2
SCHEMBL6171733 0.78 POLB (0.42) NR1H4PPARGCA1CA2MEN1
SCHEMBL6172468 0.75 DHPS (0.57) NR1H4PPARGDHPS
SCHEMBL6167952 0.75 DHPS (0.55) NR1H4PPARGDHPSPPARA
SCHEMBL7364971 0.71 TDP1 (0.58) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL5222477 0.70 NR1H4 (0.50) NR1H4PPARGCA1CA2ALDH1A1
SCHEMBL5225252 0.69 NR1H4 (0.63) NR1H4PPARGCA1CA2MEN1
SCHEMBL7252330 0.68 NR1H4 (0.48) NR1H4PPARGCA1CA2MEN1
SCHEMBL6169820 0.68 NR1H4 (0.45) NR1H4PPARGCA1CA2MEN1
SCHEMBL1250121 0.66 DGAT1 (0.76) HDAC6MEN1ALDH1A1LMNAMAPT

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-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-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed