SCHEMBL29026591

SCHEMBL29026591

CC(=Cc1ccccc1)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.49
FBP1 P09467 2/20 0.45
AKR1C3 P42330 1/20 0.45
GLO1 Q04760 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
PTBP1 P26599 1/20 0.44
RAB9A P51151 1/20 0.44
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSP90AA1 P07900 1/20 0.40
CCR6 P51684 1/20 0.40
NFE2L2 Q16236 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11430809 0.84 GLO1 (0.59) ALOX5FBP1GLO1MEN1KMT2A
SCHEMBL11430807 0.84 GLO1 (0.59) ALOX5FBP1GLO1MEN1KMT2A
SCHEMBL796705 0.79 AKR1C3 (0.60) FBP1AKR1C3MEN1KMT2AMAPT
SCHEMBL29026595 0.79 AKR1C3 (0.51) FBP1AKR1C3MEN1KMT2ASMN1; SMN2
SCHEMBL10386002 0.78 AKR1C3 (0.58) FBP1AKR1C3MEN1KMT2AMAPT
SCHEMBL6911282 0.77 KMT2A (0.57) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6911280 0.77 KMT2A (0.57) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11433517 0.77 GLO1 (0.56) FBP1GLO1MEN1KMT2AMAPT
SCHEMBL11433522 0.77 GLO1 (0.56) FBP1GLO1MEN1KMT2AMAPT
SCHEMBL11438212 0.76 MAOB (0.49) FBP1KMT2ASMN1; SMN2ALDH1A1

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
CN-116375591-B Preparation method of polyimide diamine monomer containing double bonds 中节能万润股份有限公司 2023-10-03 CN disclosed
CN-116375591-A Preparation method of polyimide diamine monomer containing double bonds 中节能万润股份有限公司 2023-07-04 CN disclosed