SCHEMBL3624979

SCHEMBL3624979

c1ccc2c(c1)-c1cccc(-c3nnco3)c1-2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.59
PDK2 Q15119 1/20 0.54
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR8 Q9NR97 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
SCHEMBL11498426 0.78 NOTUM (0.53) NOTUMPDK2TSHRLMNAKMT2A
SCHEMBL6190865 0.77 NOTUM (0.59) NOTUMPDK2TSHRLMNAKMT2A
SCHEMBL30413010 0.76 NOTUM (0.58) NOTUMPDK2TSHRLMNAKMT2A
SCHEMBL9641641 0.76 NOTUM (0.66) NOTUMPDK2TSHRKMT2ANPC1
SCHEMBL2210038 0.76 NOTUM (0.58) NOTUMPDK2TSHRLMNAKMT2A
SCHEMBL28299256 0.75 NOTUM (0.53) NOTUMTSHRLMNAKMT2ANPC1
Fenadiazole SCHEMBL555484 0.74 NOTUM (0.61) NOTUMPDK2TSHRLMNAKMT2A
SCHEMBL7050954 0.74 NOTUM (1.00) NOTUMPDK2TSHRLMNAKMT2A
SCHEMBL12479205 0.74 NOTUM (0.61) NOTUMPDK2TSHRLMNAKMT2A
SCHEMBL4752346 0.74 NOTUM (1.00) NOTUMPDK2TSHRLMNAKMT2A

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-2200944-A1 METHOD FOR REMOVING HYDRAZINE COMPOUNDS E. I. du Pont de Nemours and Company (US) 2010-06-30 EP disclosed
WO-2009051958-A1 METHOD FOR REMOVING HYDRAZINE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-23 WO disclosed