SCHEMBL30442091

SCHEMBL30442091

[2H]NC(=O)c1ccccc1NC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
POLB P06746 2/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 5/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL704708 0.86 KDM4E (0.62) KDM4EPOLBATMALDH1A1GLA
Formic Acid SCHEMBL5396593 0.79 KDM4E (0.55) KDM4EPOLBATMALDH1A1GLA
SCHEMBL1896087 0.78 KDM4E (0.62) KDM4EPOLBATMALDH1A1GLA
SCHEMBL8628627 0.77 POLB (0.67) KDM4EPOLBATMALDH1A1GAA
SCHEMBL6964053 0.75 KDM4E (0.64) KDM4EPOLBATMALDH1A1GLA
SCHEMBL31087257 0.75 POLB (0.64) KDM4EPOLBATMALDH1A1KMT2A
N-Methylanthranilic Acid SCHEMBL29381752 0.75 KDM4E (0.64) KDM4EPOLBATMALDH1A1KMT2A
N-Methylanthranilic Acid SCHEMBL130356 0.75 KDM4E (0.64) KDM4EPOLBATMALDH1A1KMT2A
SCHEMBL848499 0.75 POLB (0.64) KDM4EPOLBATMALDH1A1KMT2A
SCHEMBL960781 0.74 KDM4E (0.58) KDM4EPOLBATMALDH1A1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4734983-A2 DEUTERATED ORGANIC COMPOUNDS AND USES THEREOF Engrail Therapeutics, Inc. (US) 2026-05-06 EP disclosed
WO-2025010255-A2 DEUTERATED ORGANIC COMPOUNDS AND USES THEREOF ENGRAIL THERAPEUTICS, INC. (US) 2025-01-09 WO disclosed
EP-4460292-A1 DEUTERATED ORGANIC COMPOUNDS AND USES THEREOF Engrail Therapeutics, Inc. (US) 2024-11-13 EP disclosed
EP-4460490-A1 DEUTERATED ORGANIC COMPOUNDS AND USES THEREOF Engrail Therapeutics, Inc. (US) 2024-11-13 EP disclosed
WO-2023130119-A1 DEUTERATED ORGANIC COMPOUNDS AND USES THEREOF ENGRAIL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2023130117-A1 DEUTERATED ORGANIC COMPOUNDS AND USES THEREOF ENGRAIL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed