SCHEMBL7786764

SCHEMBL7786764

CC(C)(N=NC(C)(C)C(=O)NCCNCCO)C(=O)NCCNCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL35560 0.88 CNR1 (0.41) CNR1CA14MEN1KMT2AALDH1A1
SCHEMBL17732616 0.88 CNR1 (0.41) CNR1CA14MEN1KMT2AALDH1A1
SCHEMBL35559 0.88 CNR1 (0.41) CNR1CA14MEN1KMT2AALDH1A1
Water SCHEMBL31205630 0.86 CNR1 (0.41) CNR1CA14MEN1KMT2AALDH1A1
SCHEMBL21870499 0.84 CNR1 (0.41) CA3CA5ACA5BCNR1MEN1
SCHEMBL15745360 0.81 CNR1 (0.38) CNR1MEN1KMT2AALDH1A1TDP1
SCHEMBL12563617 0.81 CNR1 (0.41) CNR1MEN1KMT2AALDH1A1TDP1
SCHEMBL17403671 0.81 CNR1 (0.38) CNR1CA14MEN1KMT2AALDH1A1
SCHEMBL821604 0.80 CNR1 (0.38) CNR1MEN1KMT2AALDH1A1
SCHEMBL15402419 0.80 PTGS1 (0.46) CA3CA5ACA5BCNR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818440-B1 Azoamide compounds and their use as initiators for producing block copolymers WAKO PURE CHEM IND LTD (JP) 2001-10-24 EP disclosed
US-5973125-A INITIATOR FOR PRODUCING BLOCK COPOLYMERS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0818440-A2 Azoamide compounds and their use as initiators for producing block copolymers WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1998-01-14 EP disclosed