SCHEMBL7368426

SCHEMBL7368426

COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(C(=O)OC(C)(C)C)n[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
RXFP1 Q9HBX9 2/20 0.54
PKM P14618 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
FLT3 P36888 3/20 0.51
CDK2 P24941 1/20 0.51
NR1H4 Q96RI1 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
PPARD Q03181 1/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
FGFR4 P22455 1/20 0.47
F10 P00742 4/20 0.45

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
SCHEMBL7373717 0.91 NR1H4 (0.57) FLT3NR1H4PPARDPPARGPPARA
SCHEMBL7365352 0.91 KMT2A (0.50) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7369674 0.85 RXFP1 (0.46) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL7366495 0.82 FLT3 (0.45) NPC1RAB9AMEN1KMT2AFLT3
SCHEMBL7369592 0.81 NR1H4 (0.50) FLT3NR1H4PPARDPPARGPPARA
SCHEMBL7367977 0.81 JAK2 (0.46) NPC1RAB9AFLT3CDK2
SCHEMBL7364651 0.81 NR1H4 (0.45) NR1H4PPARDPPARGPPARAF10
SCHEMBL7368569 0.80 RXFP1 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7371977 0.80 NR1H4 (0.46) RXFP1FLT3NR1H4PPARGPPARA
SCHEMBL7367697 0.80 NR1H4 (0.45) NR1H4PPARDPPARGPPARA

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 5 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
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US 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