SCHEMBL5776212

SCHEMBL5776212

Cc1c(C(N)=O)sc2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 6/20 0.69
IKBKB O14920 3/20 0.45
CHUK O15111 1/20 0.45
PARP1 P09874 1/20 0.42
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CLK1 P49759 1/20 0.40
NPC1 O15118 3/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MKNK2 Q9HBH9 3/20 0.39
MKNK1 Q9BUB5 1/20 0.39
RAB9A P51151 2/20 0.39
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL1811307 0.81 LIMK1 (0.50) LIMK1LMNACYP1A2CYP2C19KDM4E
SCHEMBL716644 0.79 LMNA (0.49) LIMK1LMNAKDM4ENPC1L3MBTL1
SCHEMBL724156 0.76 LIMK1 (0.45) LIMK1LMNACYP2C19NPC1RAB9A
SCHEMBL5775221 0.75 LIMK1 (0.49) LIMK1IKBKBCHUKPARP1LMNA
SCHEMBL20723069 0.74 LIMK1 (0.69) LIMK1IKBKBCHUKKDM4EMKNK2
SCHEMBL19699885 0.74 LIMK1 (0.49) LIMK1LMNACYP3A4KDM4ECLK1
SCHEMBL13763321 0.73 HSP90AA1 (0.48) LIMK1LMNACYP3A4KDM4ECLK1
SCHEMBL30830385 0.73 LIMK1 (0.55) LIMK1IKBKBCHUKPARP1LMNA
SCHEMBL29483598 0.73 LIMK1 (0.68) LIMK1IKBKBLMNAKDM4EGAA
SCHEMBL2702750 0.73 LIMK1 (0.68) LIMK1IKBKBLMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660503-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2006-05-31 EP disclosed
WO-2005021553-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2005-03-10 WO disclosed