SCHEMBL9068475

SCHEMBL9068475

O=C1CCCCC(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LMNA P02545 1/20 0.34

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
SCHEMBL7684693 0.87 POLB (0.48) MEN1KMT2ATDP1ALDH1A1POLB
SCHEMBL38656 0.86 ALDH1A1 (0.43) MEN1KMT2ATDP1KDM4EGAA
SCHEMBL7721046 0.84 ABL1 (0.38) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL9068184 0.82 MEN1 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL8436391 0.82 CES1 (0.44) MEN1KMT2ATDP1KDM4EGAA
SCHEMBL8952018 0.79 MAPT (0.50) SMN1; SMN2CYP3A4L3MBTL1TDP1KDM4E
SCHEMBL8068727 0.78 MGLL (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL993051 0.78 MCL1 (0.45) MEN1KMT2ASMN1; SMN2GAANPC1
SCHEMBL9068188 0.77 ABL1 (0.34) SMN1; SMN2KDM4EGAALMNA
SCHEMBL1933595 0.76 MCL1 (0.44) MEN1KMT2ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491200-A FORMING GRAFT OR BLOCK COPOLYMER FROM POLYIMIDE ENDCAPPED WITH ACYL-ACTIVATED CAPROLACTAM RING AND MOLTEN CAPROLACTAM; FIBER BLENDS WITH NYLON-6; HEAT, CHEMICAL RESISTANT EDISON POLYMER INNOVATION CORPORATION (US) 1996-02-13 US disclosed