SCHEMBL6982798

SCHEMBL6982798

ClN(Cl)c1ccc(Cc2cc3ccccc3cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
PDE10A Q9Y233 3/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
PDPK1 O15530 1/20 0.37
HTR2B P41595 1/20 0.36
CXCR3 P49682 1/20 0.35
KDM4C Q9H3R0 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BTK Q06187 1/20 0.32
PLAU P00749 1/20 0.32
NPC1 O15118 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
SCHEMBL17664092 0.82 HSP90AB1 (0.47) L3MBTL1ATMPDE10ACYP1A2CYP2A6
SCHEMBL3121339 0.81 HTR2B (0.50) L3MBTL1ATMPDE10ACYP1A2CYP2A6
SCHEMBL23715914 0.79 CYP1A2 (0.48) L3MBTL1ATMPDE10ACYP1A2CYP2A6
SCHEMBL3116975 0.76 NPC1 (0.55) L3MBTL1ATMPDE10ACYP1A2CYP2A6
SCHEMBL3129580 0.76 SLC6A2 (0.44) L3MBTL1ATMPDE10ATDP1NPC1
SCHEMBL17664090 0.73 NPC1 (0.40) L3MBTL1ATMPDE10ACYP1A2CYP2A6
SCHEMBL2908675 0.70 L3MBTL1 (0.51) L3MBTL1ATMPDE10ACYP1A2CYP2A6
SCHEMBL3119876 0.70 CYP1A2 (0.46) L3MBTL1ATMPDE10ACYP1A2CYP2A6
SCHEMBL3121450 0.70 HTR2C (0.42) L3MBTL1ATMPDE10AHTR2BKDM4E
SCHEMBL21363719 0.70 CYP2A6 (0.50) L3MBTL1ATMPDE10ACYP1A2CYP2A6

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-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO disclosed