SCHEMBL30206397

SCHEMBL30206397

CN(Cc1cncn1C(=O)OC(C)(C)C)c1cccc(NC(=O)c2ccccc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ F2R P25116 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.39
▸ RGS12 O14924 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL30206507 0.80 USP30 (0.33) SCN4ASCN3A
SCHEMBL30206374 0.78 HSP90AA1 (0.37) BCHESCN4ASCN3A
SCHEMBL30206500 0.74 TAAR1 (0.52) NPC1RAB9AF2RSMN1; SMN2LMNA
SCHEMBL6814101 0.64 MEN1 (0.59) NPC1RAB9AF2RSMN1; SMN2LMNA
SCHEMBL7081264 0.64 MEN1 (0.69) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL4149607 0.63 PIM1 (0.37) BCHEL3MBTL1
SCHEMBL20864185 0.62 FAAH (0.43) BCHEL3MBTL1
SCHEMBL16060936 0.62 PIM1 (0.36) BCHEL3MBTL1
SCHEMBL27972423 0.62 MEN1 (0.70) NPC1RAB9AF2RSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27667156 0.62 RAB9A (0.48) NPC1RAB9AF2RSMN1; SMN2LMNA

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-4392412-A1 ABAD INHIBITOR COMPOUNDS University Court of The University of St Andrews (GB) 2024-07-03 — — EP disclosed
WO-2023026060-A1 ABAD INHIBITOR COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2023-03-02 — — WO disclosed
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