SCHEMBL10639290

SCHEMBL10639290

Cc1cc([N+](=O)[O-])sc1C(=O)c1sc([N+](=O)[O-])cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
RAB9A P51151 4/20 0.39
MITF O75030 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 3/20 0.38
XBP1 P17861 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5726136 0.86 LMNA (0.40) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL4311290 0.86 TSHR (0.43) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL6593278 0.85 LMNA (0.38) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL13545967 0.82 ALDH1A1 (0.45) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL5726004 0.80 GSK3B (0.42) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL5852752 0.74 HSD17B10 (0.41) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL10639764 0.73 SMN1; SMN2 (0.48) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL11923425 0.73 USP47 (0.37) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL5726490 0.71 ALDH1A1 (0.44) SMN1; SMN2HTTALDH1A1MAPTMEN1
SCHEMBL18357510 0.71 ALDH1A1 (0.44) LMNASMN1; SMN2HTTALDH1A1MAPT

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-0172031-B1 NOVEL SULFENYLATED ACYLHYDRAZONES, COMPOSITIONS CONTAINING THEM, METHODS OF MAKING THEM AND THEIR USE ROHM AND HAAS COMPANY (US) 1988-05-18 EP disclosed
CN-86105836-A Hydrocarbylthionatedacylhydrazone acylhydrazone 1987-03-04 CN disclosed
EP-0172031-A1 Novel sulfenylated acylhydrazones, compositions containing them, methods of making them and their use ROHM AND HAAS COMPANY (US) 1986-02-19 EP disclosed