SCHEMBL7765530

SCHEMBL7765530

CC(C)CCC(C)Nc1ccc(NC(C)CCC(C)C)c(N=O)c1N=O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 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
SCHEMBL7765552 0.87 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMEN1HTT
SCHEMBL1032197 0.77 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AMEN1HTT
SCHEMBL1031989 0.77 LMNA (0.33) ALDH1A1NPC1RAB9AP2RX7LMNA
SCHEMBL1030258 0.77 SCN10A (0.34) ALDH1A1NPC1RAB9AMEN1HTT
SCHEMBL4488310 0.74 MAPK1 (0.41) ALDH1A1MEN1HTTKMT2AP2RX7
SCHEMBL9064499 0.72 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AMEN1HTT
SCHEMBL7770596 0.72 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMEN1HTT
SCHEMBL6684312 0.70 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMEN1HTT
SCHEMBL39071 0.69 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AMEN1HTT
SCHEMBL12802241 0.67 ALDH1A1 (0.37) ALDH1A1RAB9AMEN1HTTKMT2A

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
US-6210536-B1 DISTILLATION OF ACRYLIC OR METHACRYLIC ACID OR ESTER IN PRESENCE OF POLYMERIZATION INHIBITOR COMPRISING N,N*-DINITROSO PHENYLENEDIAMINE COMPOUND, A HYDROQUINONE OR HYDROQUINONE MONOMETHYL ETHER, PHENYLENEDIAMINE COMPOUND, PHENOTHIAZINE UNIROYAL CHEMICAL COMPANY, INC. 2001-04-03 US claimed
US-6210536-B1 DISTILLATION OF ACRYLIC OR METHACRYLIC ACID OR ESTER IN PRESENCE OF POLYMERIZATION INHIBITOR COMPRISING N,N*-DINITROSO PHENYLENEDIAMINE COMPOUND, A HYDROQUINONE OR HYDROQUINONE MONOMETHYL ETHER, PHENYLENEDIAMINE COMPOUND, PHENOTHIAZINE UNIROYAL CHEMICAL COMPANY, INC. 2001-04-03 US disclosed