SCHEMBL24376316

SCHEMBL24376316

CCCN(C)C(=O)c1ccc(-c2cc(C(N)=O)no2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 2/20 0.49
MLLT1 Q03111 2/20 0.49
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL24376314 0.86 MLLT3 (0.64) MLLT3MLLT1MAPTHPGDRAB9A
SCHEMBL24376942 0.78 MLLT3 (0.43) MLLT3MLLT1MAPTHPGDRAB9A
SCHEMBL24376323 0.76 MLLT1 (0.49) MLLT3MLLT1MAPTHPGDRAB9A
SCHEMBL24376591 0.74 MLLT3 (0.65) MLLT3MLLT1MAPTHPGDRAB9A
SCHEMBL24376589 0.71 MLLT1 (0.64) MLLT3MLLT1MAPTHPGDRAB9A
SCHEMBL24376430 0.71 MLLT1 (0.71) MLLT3MLLT1MAPTHPGDRAB9A
SCHEMBL29622112 0.70 MLLT3 (0.47) MLLT3MLLT1MAPTHPGDRAB9A
SCHEMBL24376380 0.69 MLLT1 (0.80) MLLT3MLLT1RAB9AALDH1A1LMNA
SCHEMBL29622146 0.69 MLLT1 (0.80) MLLT3MLLT1RAB9AALDH1A1LMNA
SCHEMBL29622224 0.69 MLLT3 (0.45) MLLT3MLLT1MAPTHPGDRAB9A

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
WO-2022086937-A9 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-02-02 WO disclosed
WO-2022086937-A1 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 WO disclosed