SCHEMBL30912906

SCHEMBL30912906

CON(C)C(=O)CCC(C)(C)N(Cc1ccccc1)C(=O)O.CON(C)C(=O)CCN(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL1921576 0.81 MEN1 (0.35) KMT2AMEN1HTTL3MBTL1
SCHEMBL4802333 0.76 NPC1 (0.51) KMT2ANPC1RAB9AALDH1A1TSHR
SCHEMBL4332580 0.76 NPC1 (0.51) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL17467189 0.74 KMT2A (0.49) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL6577360 0.72 MEN1 (0.33) KMT2AMEN1HTTL3MBTL1
SCHEMBL30440629 0.72 ALDH1A1 (0.41) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL531523 0.72 RIPK1 (0.48) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL8773482 0.72 MEN1 (0.69) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL17258048 0.71 KMT2A (0.51) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL17257984 0.70 MEN1 (0.43) KMT2AMEN1HTTL3MBTL1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344372-A Substituted straight-chain spiro derivatives 詹森药业有限公司 2024-07-16 CN disclosed
CN-118255773-A Substituted straight-chain spiro derivatives 詹森药业有限公司 2024-06-28 CN disclosed
CN-118255774-A Substituted straight-chain spiro derivatives 詹森药业有限公司 2024-06-28 CN disclosed