SCHEMBL25964229

SCHEMBL25964229

CN(C)CCNC(=O)OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NAAA Q02083 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NR2F2 P24468 1/20 0.48
LMNA P02545 2/20 0.46
TGM2 P21980 1/20 0.46
MAPT P10636 2/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ESRRB O95718 2/20 0.44
ESRRG P62508 2/20 0.44
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL25867607 0.88 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AMEN1L3MBTL1NAAA
SCHEMBL25748675 0.87 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1L3MBTL1NAAA
SCHEMBL25881309 0.86 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1L3MBTL1NAAA
SCHEMBL25748766 0.85 MEN1 (0.47) SMN1; SMN2KMT2AMEN1L3MBTL1NAAA
SCHEMBL20508739 0.83 KMT2A (0.53) SMN1; SMN2KMT2AMEN1L3MBTL1LMNA
SCHEMBL14772158 0.82 LMNA (0.65) SMN1; SMN2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL13778189 0.82 HTT (0.57) SMN1; SMN2KMT2AMEN1L3MBTL1NAAA
SCHEMBL18563625 0.81 MEN1 (0.59) SMN1; SMN2KMT2AMEN1L3MBTL1NAAA
SCHEMBL16355707 0.80 ESRRG (0.64) SMN1; SMN2KMT2AMEN1L3MBTL1LMNA
SCHEMBL20635499 0.78 L3MBTL1 (0.49) SMN1; SMN2KMT2AL3MBTL1ALDH1A1LMNA

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-4223318-A1 ANTITUMOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2023-08-09 EP disclosed