SCHEMBL4236572

SCHEMBL4236572

Cc1nc2c(o1)-c1ccccc1Sc1c(Cl)cccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
GPR84 Q9NQS5 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
GGT1 P19440 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33
NR4A2 P43354 5/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 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
SCHEMBL2290493 0.82 NPY5R (0.42) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL2291412 0.78 HPGD (0.44) NPC1KMT2ALMNAL3MBTL1TP53
SCHEMBL2290544 0.76 HPGD (0.44) NPC1KMT2ALMNAL3MBTL1TP53
SCHEMBL5541542 0.66 MAPT (0.49) MAPTNPC1KMT2ALMNAL3MBTL1
SCHEMBL5547946 0.66 NPC1 (0.46) MAPTNPC1KMT2ALMNANR4A2
SCHEMBL2296178 0.65 MAPK13 (0.42) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL5247591 0.64 IDO1 (0.49) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4637896 0.64 NPC1 (0.47) MAPTNPC1KMT2ALMNAL3MBTL1
SCHEMBL5541531 0.64 NPC1 (0.47) MAPTNPC1KMT2ALMNAL3MBTL1
SCHEMBL14486660 0.64 MAPK13 (0.45) MAPTNPC1MAPK13MAPK12MAPK11

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
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
WO-2009103072-A2 ERBB4 INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-08-20 WO disclosed
EP-1492797-A1 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-01-05 EP disclosed
WO-2003084964-A1 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-10-16 WO disclosed