SCHEMBL29622112

SCHEMBL29622112

CN(CCNC(=O)OCc1ccccc1)C(=O)c1ccc(-c2cc(C(=O)O)no2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 2/20 0.47
MLLT1 Q03111 2/20 0.47
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMPD1 P17405 1/20 0.40
FAAH O00519 2/20 0.40
SCD5 Q86SK9 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
SCHEMBL29622224 0.93 MLLT3 (0.45) MLLT3MLLT1HPGDMAPTLMNA
SCHEMBL29622336 0.78 HTT (0.46) MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL24376591 0.76 MLLT3 (0.65) MLLT3MLLT1HPGDMAPTLMNA
SCHEMBL29622084 0.74 HTT (0.42) HPGDMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL17846625 0.70 LMNA (0.61) MAPTLMNASMN1; SMN2RAB9AL3MBTL1
SCHEMBL24376316 0.70 MLLT3 (0.49) MLLT3MLLT1HPGDMAPTLMNA
SCHEMBL10827358 0.69 LMNA (0.60) MAPTLMNASMN1; SMN2RAB9AL3MBTL1
SCHEMBL24376589 0.69 MLLT1 (0.64) MLLT3MLLT1HPGDMAPTLMNA
SCHEMBL25983314 0.69 LMNA (0.56) MAPTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL14772158 0.68 LMNA (0.65) MAPTLMNASMN1; SMN2RAB9AL3MBTL1

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