SCHEMBL5249556

SCHEMBL5249556

NNC(=O)Cc1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
DPP4 P27487 1/20 0.50
KDM4E B2RXH2 1/20 0.48
PLA2G2A P14555 2/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
FOLH1 Q04609 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL7939490 0.82 KMT2A (0.51) KMT2ALMNARAB9ADPP4KDM4E
SCHEMBL2397419 0.82 KMT2A (0.51) KMT2ALMNARAB9ADPP4KDM4E
SCHEMBL27750565 0.81 LMNA (0.51) KMT2ALMNARAB9ADPP4FFAR1
SCHEMBL8639463 0.81 CYP1A2 (0.63) KMT2ALMNARAB9AKDM4EFFAR1
SCHEMBL1547038 0.79 KMT2A (0.56) KMT2ALMNARAB9ADPP4FFAR1
SCHEMBL7414477 0.79 DPP4 (0.59) KMT2ALMNARAB9ADPP4FFAR1
SCHEMBL538512 0.79 KMT2A (0.60) KMT2ALMNARAB9ADPP4FFAR1
SCHEMBL3437801 0.79 KMT2A (0.60) KMT2ALMNARAB9ADPP4FFAR1
Hydrochloric Acid SCHEMBL27396597 0.78 KMT2A (0.55) KMT2ALMNARAB9ADPP4FFAR1
SCHEMBL1568317 0.77 KMT2A (0.58) KMT2ALMNARAB9ADPP4FFAR1

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-115947757-A Phosphonium compound, kit for derivatization, mass spectrometry method, and method for producing phosphonium compound 日本电子株式会社 2023-04-11 CN disclosed
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 EP disclosed