SCHEMBL5334344

SCHEMBL5334344

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(Cc3noc(-c4cc(Cl)cc(Cl)c4)n3)c2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.32
ADORA2B P29275 5/20 0.31
ADORA1 P30542 3/20 0.31
ADORA3 P0DMS8 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA2A P29274 1/20 0.31
MAPT P10636 2/20 0.31
NOTUM Q6P988 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14622464 0.86 SMN1; SMN2 (0.43) L3MBTL1MEN1KMT2ACYP2C9HTT
SCHEMBL5325571 0.82 RAD51 (0.35) CYP2C9HTT
SCHEMBL5334355 0.82 ADORA2B (0.33) NR1H4L3MBTL1HTTADORA2BADORA1
SCHEMBL5325697 0.75 RAD51 (0.40) CYP2C9HTTADORA2BLMNAMAPK1
SCHEMBL5324677 0.75 RGS4 (0.46) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL5331474 0.74 PTGS2 (0.38) MEN1KMT2ACYP2C9HTTADORA2B
SCHEMBL14624160 0.73 HTT (0.35) CYP2C9HTTLMNAMAPK1NPC1
SCHEMBL5323331 0.73 RGS4 (0.48) HTTLMNARAB9AMAPTPOLB
SCHEMBL14622453 0.72 CYP11B1 (0.43) HTTLMNAMAPK1NPC1TSHR
SCHEMBL5325289 0.72 HSP90AA1 (0.38) LMNAMAPK1NPC1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO claimed