SCHEMBL5809565

SCHEMBL5809565

N#Cc1c(C(F)(F)F)cc(-c2ccncc2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.45
▸ BRCA1 P38398 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SQOR Q9Y6N5 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1919293 0.87 MAPT (0.60) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL1919926 0.86 KDM4E (0.57) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL1919396 0.81 KDM4E (0.55) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL23851985 0.78 KDM4E (0.42) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL1920134 0.76 KDM4E (0.54) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL1624009 0.75 KDM4E (0.40) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL29409508 0.75 KDM4E (0.40) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL13374135 0.73 LMNA (0.39) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL12763840 0.73 KIF11 (0.42) KDM4EMAPTLMNA
SCHEMBL15110858 0.73 MAPT (0.61) KDM4EALDH1A1L3MBTL1HPGDTDP1

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 disclosed
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