SCHEMBL25226256

SCHEMBL25226256

O=C1NCCCC1C(=O)NCc1cccc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ P2RX7 Q99572 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43

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
SCHEMBL25277330 0.93 P2RX7 (0.54) ALDH1A1MEN1KMT2ACYP1A2P2RX7
SCHEMBL25230284 0.82 KMT2A (0.48) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL22591724 0.80 MEN1 (0.65) ALDH1A1MEN1KMT2ACYP1A2L3MBTL1
SCHEMBL22591718 0.80 MEN1 (0.65) ALDH1A1MEN1KMT2ACYP1A2L3MBTL1
SCHEMBL23642642 0.73 MEN1 (0.59) ALDH1A1MEN1KMT2ACYP1A2L3MBTL1
SCHEMBL22591709 0.73 MEN1 (0.59) ALDH1A1MEN1KMT2ACYP1A2L3MBTL1
SCHEMBL2792591 0.72 L3MBTL1 (0.68) ALDH1A1MEN1KMT2ACYP1A2L3MBTL1
SCHEMBL22591708 0.71 MEN1 (0.62) ALDH1A1MEN1KMT2ACYP1A2L3MBTL1
SCHEMBL23642720 0.71 MEN1 (0.62) ALDH1A1MEN1KMT2ACYP1A2L3MBTL1
SCHEMBL23911957 0.71 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ACYP1A2L3MBTL1

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
EP-4447681-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF Adama Agan Ltd. (IL) 2024-10-23 — — EP disclosed
WO-2023112033-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF ADAMA AGAN LTD. (IL) 2023-06-22 — — WO disclosed
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