SCHEMBL6963016

SCHEMBL6963016

COC(=O)c1ccc(Cn2cnnn2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
LMNA P02545 1/20 0.51
NOTUM Q6P988 1/20 0.43
P4HB P07237 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 2/20 0.41
STAT5B P51692 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK10 P53779 2/20 0.40
USP2 O75604 1/20 0.40
ALPG P10696 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL31172517 0.80 HDAC1 (0.49) LMNANOTUMP4HBMEN1KMT2A
SCHEMBL16347649 0.79 TP53 (0.61) TP53LMNAMEN1KMT2ACYP1A2
SCHEMBL3577577 0.78 NOTUM (0.57) TP53LMNANOTUMP4HBMEN1
SCHEMBL6171032 0.74 SMN1; SMN2 (0.53) NOTUMP4HBMEN1KMT2ACYP1A2
SCHEMBL1040017 0.73 NOTUM (0.55) TP53LMNANOTUMP4HBMEN1
SCHEMBL29975942 0.73 NOTUM (0.55) TP53LMNANOTUMP4HBMEN1
SCHEMBL30848162 0.73 P4HB (0.66) TP53LMNANOTUMP4HBMEN1
SCHEMBL18973337 0.73 P4HB (0.66) TP53LMNANOTUMP4HBMEN1
SCHEMBL17010776 0.72 LOXL2 (0.54) TP53LMNANOTUMP4HBMEN1
SCHEMBL31063216 0.72 NOTUM (0.54) TP53LMNANOTUMP4HBMEN1

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-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed