SCHEMBL25947829

SCHEMBL25947829

NC(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3ccccc3s2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.51
LMNA P02545 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 5/20 0.43
PKM P14618 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1B1 P15121 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL25947664 0.89 MAP4K1 (0.57) MAP4K1ALDH1A1L3MBTL1AKR1B1KDM4E
SCHEMBL25947802 0.89 MAP4K1 (0.64) MAP4K1LMNAMAPTPKMHTT
SCHEMBL25947520 0.83 MAP4K1 (0.50) MAP4K1PKMHTTALDH1A1HSD17B10
SCHEMBL21684311 0.82 MAP4K1 (0.66) MAP4K1
SCHEMBL21684305 0.82 MAP4K1 (0.66) MAP4K1
SCHEMBL21684298 0.82 MAP4K1 (0.66) MAP4K1
SCHEMBL25947458 0.81 MAP4K1 (0.61) MAP4K1ALDH1A1HSD17B10TSHR
SCHEMBL25947483 0.81 MAP4K1 (0.62) MAP4K1
SCHEMBL25947821 0.81 MAP4K1 (0.40) MAP4K1LMNAMEN1KMT2APOLB
SCHEMBL25947405 0.78 MAP4K1 (0.50) MAP4K1

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
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed