SCHEMBL9535450

SCHEMBL9535450

CC(C)Oc1c(C(=O)Nc2nnn[nH]2)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
PPARG P37231 5/20 0.36
FOLH1 Q04609 1/20 0.33
PDE4A P27815 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRPF1 P55201 2/20 0.32
TOP2A P11388 1/20 0.32
PPARA Q07869 1/20 0.32
BRD4 O60885 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KLF5 Q13887 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL9535097 0.92 PPARG (0.40) PPARGROCK1NPC1RAB9ALMNA
SCHEMBL9535821 0.89 MAPK8 (0.38) MAPK8PPARG
SCHEMBL6438548 0.89 KDM4E (0.43) MAPK8PPARGL3MBTL1
SCHEMBL9535963 0.89 LMNA (0.40) MAPK8PPARGFOLH1PPARAPLA2G2A
SCHEMBL9826360 0.84 L3MBTL1 (0.32) TOP2AL3MBTL1NPC1RAB9AKLF5
SCHEMBL9535059 0.83 ALDH1A1 (0.38) MAPK8FOLH1L3MBTL1NPC1RAB9A
SCHEMBL9536287 0.79 KDM4E (0.47) MAPK8PPARG
SCHEMBL10756621 0.77 PPARG (0.53) MAPK8PPARGFOLH1PPARAL3MBTL1
SCHEMBL9536815 0.76 MAPK8 (0.51) MAPK8PPARGFOLH1PPARAL3MBTL1
SCHEMBL9535836 0.76 MEN1 (0.44) MAPK8PPARGPPARA

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-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP claimed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US claimed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP claimed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed