SCHEMBL25333492

SCHEMBL25333492

CCN(CC)c1ccc2cc(-c3cc(=O)[nH]c(NC(=O)NCCCC[C@H](N)C(=O)O)n3)c(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.46
▸ MAPT P10636 13/20 0.43
▸ MEN1 O00255 10/20 0.43
▸ KMT2A Q03164 10/20 0.43
▸ ATM Q13315 6/20 0.43
▸ LMNA P02545 6/20 0.43
▸ USP2 O75604 5/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ HTT P42858 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ CASP1 P29466 3/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HBB P68871 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 7/20 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
SCHEMBL25333502 1.00 CYP19A1 (0.46) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL25336517 0.86 CYP19A1 (0.39) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL25431450 0.85 MAPT (0.40) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL25431445 0.85 MAPT (0.40) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL25334968 0.84 CYP19A1 (0.38) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL13521824 0.77 ALDH1A1 (0.60) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL25429462 0.77 MAP1LC3B (0.37) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL25430909 0.76 CYP19A1 (0.36) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL25430751 0.75 MAP1LC3B (0.36) CYP19A1MAPTMEN1KMT2AATM
SCHEMBL12462224 0.70 SLC6A3 (0.35) TDP1

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-2023148785-A1 FLUORESCENT AND SELF-ASSEMBLING UREIDOPYRIMIDINONE CONJUGATES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2023-08-10 — — WO claimed
WO-2023148785-A1 FLUORESCENT AND SELF-ASSEMBLING UREIDOPYRIMIDINONE CONJUGATES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2023-08-10 — — WO disclosed
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