SCHEMBL6455288

SCHEMBL6455288

Cc1c([C@@H](CC(=O)N2CCCC2)NC(=O)OC(C)(C)C)ccc2[nH]c(CNc3ccc(C#N)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
RET P07949 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CFD P00746 2/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31
ESR1 P03372 1/20 0.31
TGFBR1 P36897 1/20 0.31
PARP1 P09874 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
SCHEMBL7442673 0.80 MLLT1 (0.34) MLLT1DGAT2JAK2JAK1CACNA1H
SCHEMBL7449699 0.75 MLLT1 (0.38) MLLT1DGAT2TGFBR1
SCHEMBL7448201 0.74 EPHX2 (0.39) MLLT1DGAT2TGFBR1
SCHEMBL6455937 0.73 F2 (0.42)
SCHEMBL6450639 0.73 F2 (0.42)
Hydrochloric Acid SCHEMBL6451914 0.73 F2 (0.41)
SCHEMBL7445643 0.71 NPC1 (0.35) MLLT1DGAT2TGFBR1
SCHEMBL7454489 0.71 NPC1 (0.38) MLLT1DGAT2CACNA1BTGFBR1
SCHEMBL7447136 0.71 ALDH1A1 (0.37) MLLT1DGAT2CACNA1BTGFBR1
SCHEMBL7421109 0.70 NPC1 (0.37) MLLT1DGAT2TGFBR1

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-1517687-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-30 EP disclosed
WO-2004000310-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-31 WO disclosed