SCHEMBL7473099

SCHEMBL7473099

CNC(=O)C=C(c1ccccc1)c1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
KCNQ3 O43525 3/20 0.47
KCNQ2 O43526 3/20 0.47
LMNA P02545 1/20 0.46
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.42
KMT2A Q03164 3/20 0.41
BAZ2B Q9UIF8 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
GRM5 P41594 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DGAT1 O75907 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL7465975 1.00 NAPRT (0.49) NAPRTL3MBTL1KCNQ3KCNQ2LMNA
SCHEMBL7676637 0.79 KMT2A (0.39) NAPRTL3MBTL1KCNQ3KCNQ2MDM4
SCHEMBL7679465 0.79 KMT2A (0.39) NAPRTL3MBTL1KCNQ3KCNQ2MDM4
SCHEMBL2300680 0.74 JAK2 (0.41) GRM4
SCHEMBL3383611 0.72 NAPRT (0.66) NAPRTL3MBTL1KCNQ3KCNQ2LMNA
SCHEMBL103123 0.72 RAB9A (0.61) NAPRTL3MBTL1KCNQ3KCNQ2LMNA
SCHEMBL31473447 0.72 NAPRT (0.66) NAPRTL3MBTL1KCNQ3KCNQ2LMNA
SCHEMBL7469065 0.71 NAPRT (0.47) NAPRTL3MBTL1KCNQ3KCNQ2LMNA
SCHEMBL2301555 0.71 CTNNB1 (0.57) RAB9ANPC1
SCHEMBL12427655 0.71 CTNNB1 (0.57) RAB9ANPC1

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-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed