SCHEMBL28650244

SCHEMBL28650244

NC(=O)OCCOCCOCCOCCOCCC(=O)N1CCN(c2cc(-c3ccccc3OC(=O)C(F)(F)F)nnc2N)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 11/20 0.46
SMARCA2 P51531 10/20 0.46
SMARCA4 P51532 10/20 0.46
NR1I2 O75469 2/20 0.39
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 1/20 0.36
MC4R P32245 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL18038688 0.88 PBRM1 (0.44) PBRM1SMARCA2SMARCA4NR1I2NPC1
Trifluoroacetic Acid SCHEMBL28650245 0.88 PBRM1 (0.55) PBRM1SMARCA2SMARCA4NR1I2NPC1
SCHEMBL18038834 0.78 PBRM1 (0.61) PBRM1SMARCA2SMARCA4NR1I2NPC1
Trifluoroacetic Acid SCHEMBL18038686 0.77 PBRM1 (0.54) PBRM1SMARCA2SMARCA4NR1I2NPC1
SCHEMBL26364083 0.77 PBRM1 (0.62) PBRM1SMARCA2SMARCA4NR1I2BRD4
Hydrochloric Acid SCHEMBL18038683 0.77 PBRM1 (0.60) PBRM1SMARCA2SMARCA4NR1I2NPC1
SCHEMBL26364088 0.77 PBRM1 (0.62) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL26364085 0.76 PBRM1 (0.63) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL22959694 0.74 PBRM1 (0.57) PBRM1SMARCA2SMARCA4NR1I2BRD4
Trifluoroacetic Acid SCHEMBL30606983 0.74 PBRM1 (0.58) PBRM1SMARCA2SMARCA4NR1I2BRD4

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
CN-107531668-B Therapeutic pyridazine compounds and uses thereof 基因泰克公司 2021-10-29 CN disclosed