SCHEMBL24376380

SCHEMBL24376380

CN(CCN)C(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)no2)cc1O

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 4/20 0.80
MLLT3 P42568 3/20 0.80
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
TAS1R3 Q7RTX0 4/20 0.40
TAS1R1 Q7RTX1 4/20 0.40
TAS1R2 Q8TE23 4/20 0.40
RIPK1 Q13546 1/20 0.39
RECQL P46063 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
SCHEMBL29622146 1.00 MLLT1 (0.80) MLLT1MLLT3TSHRALDH1A1LMNA
SCHEMBL24376600 0.84 MLLT1 (0.65) MLLT1MLLT3TSHRALDH1A1LMNA
SCHEMBL29622187 0.78 MLLT1 (0.78) MLLT1MLLT3TSHRKMT2ARAB9A
SCHEMBL24376454 0.78 MLLT1 (0.78) MLLT1MLLT3TSHRKMT2ARAB9A
SCHEMBL24376394 0.76 MLLT1 (0.71) MLLT1MLLT3TSHRALDH1A1LMNA
SCHEMBL13917047 0.74 MLLT3 (0.65) MLLT1MLLT3TSHRALDH1A1KMT2A
SCHEMBL30704560 0.73 MLLT3 (0.53) MLLT1MLLT3
SCHEMBL30704721 0.73 MLLT3 (0.53) MLLT1MLLT3
SCHEMBL26911285 0.73 MLLT3 (0.53) MLLT1MLLT3
SCHEMBL24376942 0.71 MLLT3 (0.43) MLLT1MLLT3TSHRALDH1A1LMNA

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