SCHEMBL4592639

SCHEMBL4592639

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccc(OC)cc1F)c1ccc(C(C)C)cc1.CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(c1ccc(C(C)C)cc1)C(C)c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
UTS2R Q9UKP6 6/20 0.32
PTK2 Q05397 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H3 Q13133 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
SCHEMBL4592636 1.00 KDM4E (0.32) KDM4EALDH1A1POLBSMN1; SMN2HSD17B10
SCHEMBL4592456 0.92 PTK2 (0.35) KDM4EPOLBSMN1; SMN2PTK2TP53
SCHEMBL5050236 0.85 MEN1 (0.39) ALDH1A1SMN1; SMN2UTS2RMEN1KMT2A
SCHEMBL5049341 0.85 MEN1 (0.39) ALDH1A1SMN1; SMN2UTS2RMEN1KMT2A
SCHEMBL5049344 0.85 MEN1 (0.39) ALDH1A1SMN1; SMN2UTS2RMEN1KMT2A
SCHEMBL4591956 0.84 UTS2R (0.34) ALDH1A1SMN1; SMN2UTS2R
SCHEMBL4591954 0.84 UTS2R (0.34) ALDH1A1SMN1; SMN2UTS2R
SCHEMBL4592323 0.84 UTS2R (0.34) ALDH1A1SMN1; SMN2UTS2R
SCHEMBL4592692 0.83 PTK2 (0.37) KDM4EALDH1A1POLBPTK2TP53
SCHEMBL4591774 0.82 CTSD (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP claimed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 WO claimed