SCHEMBL24636716

SCHEMBL24636716

O=C(CCc1cccnc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NAMPT P43490 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
C3AR1 Q16581 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10938949 0.87 MAPT (0.62) MAPTBCL9CTNNB1ALDH1A1RAB9A
SCHEMBL6659906 0.84 BCL9 (0.64) MAPTBCL9CTNNB1ALDH1A1RAB9A
SCHEMBL28840398 0.83 TBXAS1 (0.55) ALDH1A1NAMPTKMT2ACYP3A4CYP2C9
Phenyl Propionic Acid SCHEMBL11756556 0.81 ALDH1A1 (0.60) MAPTBCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4489396 0.81 NAMPT (0.54) MAPTALDH1A1NAMPTPOLBHTT
SCHEMBL1126283 0.80 MAPT (0.60) MAPTALDH1A1RAB9ANPSR1NAMPT
SCHEMBL1568902 0.79 NAMPT (0.65) MAPTALDH1A1NAMPTPOLBHTT
SCHEMBL28060070 0.79 BCL9 (0.60) MAPTBCL9CTNNB1ALDH1A1NPSR1
SCHEMBL957930 0.78 BCL9 (0.81) MAPTBCL9CTNNB1ALDH1A1RAB9A
SCHEMBL12715327 0.78 BCL9 (0.62) MAPTBCL9CTNNB1ALDH1A1RAB9A

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-117377468-A 2, 6-dichlorophenyl ester compound and application thereof 融合制药公司 2024-01-09 CN disclosed
WO-2022251612-A1 2,6-DICHLOROPHENYL ESTER COMPOUNDS AND USE THEREOF Fusion Pharmaceuticals Inc. (CA) 2022-12-01 WO disclosed