SCHEMBL24376591

SCHEMBL24376591

CN(C)C(=O)c1ccc(-c2cc(C(=O)O)no2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 2/20 0.65
MLLT1 Q03111 2/20 0.65
ALDH1A1 P00352 5/20 0.56
PTPN1 P18031 3/20 0.52
HPGD P15428 3/20 0.51
MAPT P10636 3/20 0.51
RECQL P46063 1/20 0.51
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
RXRA P19793 1/20 0.49
CDH1 P12830 1/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PTPRA P18433 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 0.88 MLLT3 (0.64) MLLT3MLLT1ALDH1A1PTPN1HPGD
SCHEMBL24376589 0.86 MLLT1 (0.64) MLLT3MLLT1ALDH1A1HPGDMAPT
SCHEMBL24376430 0.86 MLLT1 (0.71) MLLT3MLLT1ALDH1A1HPGDMAPT
SCHEMBL11902392 0.80 ALDH1A1 (0.62) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL27101315 0.79 ALDH1A1 (0.64) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL29622112 0.76 MLLT3 (0.47) MLLT3MLLT1ALDH1A1HPGDMAPT
SCHEMBL22778856 0.76 ALDH1A1 (0.64) MLLT3MLLT1ALDH1A1PTPN1HPGD
SCHEMBL17731947 0.76 ALDH1A1 (0.64) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL30645203 0.76 ALDH1A1 (0.64) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL17731960 0.75 ALDH1A1 (0.65) ALDH1A1PTPN1HPGDMAPTRECQL

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