SCHEMBL2470045

SCHEMBL2470045

O=C(NS(=O)(=O)N1CCOCC1)c1cc(-c2ccccc2)nc2c1[nH]c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 6/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
XBP1 P17861 1/20 0.45
JAK2 O60674 10/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL3708812 0.81 PLAUR (0.50) PLAURALDH1A1LMNATSHRJAK2
SCHEMBL140775 0.76 JAK2 (0.58) JAK2
SCHEMBL142060 0.76 ALDH1A1 (0.49) ALDH1A1LMNAXBP1JAK2MEN1
SCHEMBL146210 0.72 JAK2 (0.77) JAK2
SCHEMBL141650 0.71 JAK2 (0.55) ALDH1A1JAK2MEN1KMT2A
SCHEMBL141707 0.70 JAK2 (0.83) JAK2
SCHEMBL141764 0.70 JAK2 (0.72) JAK2
SCHEMBL15800325 0.70 JAK2 (0.69) PLAURALDH1A1LMNATSHRJAK2
SCHEMBL2470725 0.70 JAK2 (0.46) LMNAJAK2MEN1KMT2A
SCHEMBL142082 0.70 JAK2 (0.66) PLAURALDH1A1LMNATSHRJAK2

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-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed