SCHEMBL25430751

SCHEMBL25430751

CCN(CC)c1ccc2cc(-c3cc(=O)[nH]c(NC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)OC)n3)c(=O)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 1/20 0.36
▸ MAP1LC3A Q9H492 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ POLB P06746 3/20 0.35
▸ ATM Q13315 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CBX4 O00257 1/20 0.34
▸ CBX7 O95931 1/20 0.34
▸ CDYL2 Q8N8U2 1/20 0.34
▸ CBX8 Q9HC52 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ MAPT P10636 5/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ USP2 O75604 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ NPC1 O15118 2/20 0.33

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
SCHEMBL25430909 0.98 CYP19A1 (0.36) MAP1LC3BMAP1LC3ACYP19A1POLBATM
SCHEMBL25429462 0.98 MAP1LC3B (0.37) MAP1LC3BMAP1LC3ACYP19A1POLBATM
SCHEMBL25334968 0.90 CYP19A1 (0.38) CYP19A1POLBATMNPSR1TDP1
SCHEMBL25429366 0.88 CDYL2 (0.34) CYP19A1POLBATMNPSR1TDP1
SCHEMBL25336517 0.87 CYP19A1 (0.39) CYP19A1POLBATMNPSR1TDP1
SCHEMBL25431450 0.87 MAPT (0.40) CYP19A1POLBATMNPSR1TDP1
SCHEMBL25431445 0.87 MAPT (0.40) CYP19A1POLBATMNPSR1TDP1
SCHEMBL25333502 0.75 CYP19A1 (0.46) CYP19A1POLBATMNPSR1TDP1
SCHEMBL25333492 0.75 CYP19A1 (0.46) CYP19A1POLBATMNPSR1TDP1
SCHEMBL21806091 0.68 ALDH1A1 (0.52) ATMNPSR1MAOBMAPTMEN1

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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