SCHEMBL6033064

SCHEMBL6033064

c1ccc2c(c1)c1c(n2C2CCCCC2)C(NC2CCCCC2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 8/20 0.50
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
LMNA P02545 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC2A1 P11166 1/20 0.36
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
CDK4 P11802 1/20 0.33
CDK6 Q00534 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
SCHEMBL6029922 0.80 RB1 (0.48) RB1BCHEACHEMEN1KMT2A
SCHEMBL6031575 0.76 RB1 (0.45) RB1MEN1KMT2AHPGDSLC2A1
SCHEMBL6031429 0.76 HTR6 (0.48) RB1ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL7427777 0.72 CA1 (0.53) MEN1KMT2AALDH1A1HSD17B10CRHBP
SCHEMBL21448630 0.70 MEN1 (0.53) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL21448631 0.70 MEN1 (0.53) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL31469390 0.70 MEN1 (0.53) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL21448628 0.70 MEN1 (0.53) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL4728728 0.70 MEN1 (0.53) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL31469424 0.68 MEN1 (0.50) MEN1KMT2AALDH1A1CRHBPCRHR2

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-1678137-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2006-07-12 EP disclosed
WO-2005037791-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2005-04-28 WO disclosed