SCHEMBL2200679

SCHEMBL2200679

Cc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCC(N(C)C2CCOCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.40
KMT2A Q03164 2/20 0.38
MCHR1 Q99705 2/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
CCR5 P51681 2/20 0.33
CCR3 P51677 2/20 0.33
PROKR1 Q8TCW9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL2201732 1.00 MALT1 (0.40) MALT1KMT2AMCHR1LMNAALDH1A1
SCHEMBL2200677 1.00 MALT1 (0.40) MALT1KMT2AMCHR1LMNAALDH1A1
SCHEMBL2201736 1.00 MALT1 (0.40) MALT1KMT2AMCHR1LMNAALDH1A1
SCHEMBL2200676 1.00 MALT1 (0.40) MALT1KMT2AMCHR1LMNAALDH1A1
SCHEMBL2199905 0.90 MALT1 (0.49) MALT1KMT2AMAPTCCR3
SCHEMBL2199901 0.90 MALT1 (0.49) MALT1KMT2AMAPTCCR3
SCHEMBL2198942 0.86 KMT2A (0.44) MALT1KMT2AMAPTMEN1CCR3
SCHEMBL2198937 0.86 KMT2A (0.44) MALT1KMT2AMAPTMEN1CCR3
SCHEMBL2202093 0.86 MALT1 (0.40) MALT1KMT2AALDH1A1CCR3
SCHEMBL2202091 0.86 MALT1 (0.40) MALT1KMT2AALDH1A1CCR3

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
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed