SCHEMBL5809588

SCHEMBL5809588

Cc1nc(-c2ccc(Br)cc2F)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PIM1 P11309 2/20 0.35
▸ DGAT1 O75907 1/20 0.33
▸ CHRM4 P08173 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ IKBKB O14920 5/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LIMK1 P53667 3/20 0.31
▸ CHUK O15111 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ PRKACG P22612 1/20 0.31
▸ PRKACB P22694 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL5805681 0.85 MAPT (0.46) MAPTMEN1KMT2ACHRM4NPC1
SCHEMBL6110212 0.84 MAPT (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5806520 0.83 MAPT (0.45) MAPTMEN1KMT2APIM1CHRM4
SCHEMBL5809220 0.80 KMT2A (0.44) MAPTMEN1KMT2APIM1CHRM4
SCHEMBL5806498 0.78 MAPT (0.43) MAPTMEN1KMT2ACHRM4NPC1
SCHEMBL5808461 0.76 MAPT (0.57) MAPTMEN1KMT2ACHRM4NPC1
SCHEMBL5808459 0.75 MEN1 (0.46) MAPTMEN1KMT2ACHRM4TP53
SCHEMBL5820468 0.74 MAPT (0.45) MAPTMEN1KMT2APIM1CHRM4
SCHEMBL6109570 0.73 KMT2A (0.54) MAPTMEN1KMT2ACHRM4NPC1
SCHEMBL5816926 0.72 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A

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-2006100095-A1 SUBSTITUTED CARBOXAMIDES METHOD FOR PRODUCTION AND USE THEREOF AS TNF-ALPHA RELEASE INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-09-28 — — WO claimed
Send feedback