SCHEMBL25349596

SCHEMBL25349596

CCN1/C(=C\C2=C([O-])C(=CC3=[N+](CC)c4ccc(Cl)cc4C3(C)C)C2=O)C(C)(C)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
S1PR2 O95136 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALPG P10696 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
XBP1 P17861 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 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
SCHEMBL25349598 1.00 LMNA (0.42) LMNAMEN1NPC1USP2S1PR2
SCHEMBL30545635 1.00 LMNA (0.42) LMNAMEN1NPC1USP2S1PR2
SCHEMBL25986886 0.89 LMNA (0.42) LMNAMEN1NPC1USP2S1PR2
SCHEMBL25347467 0.87 FOLH1 (0.41) LMNAMEN1NPC1USP2S1PR2
SCHEMBL30545614 0.87 FOLH1 (0.41) LMNAMEN1NPC1USP2S1PR2
SCHEMBL25986888 0.87 FOLH1 (0.41) LMNAMEN1NPC1USP2S1PR2
SCHEMBL25347470 0.87 FOLH1 (0.41) LMNAMEN1NPC1USP2S1PR2
SCHEMBL25350144 0.87 MEN1 (0.39) LMNAMEN1NPC1USP2S1PR2
SCHEMBL25350140 0.87 MEN1 (0.39) LMNAMEN1NPC1USP2S1PR2
SCHEMBL29456903 0.82 MEN1 (0.46) LMNAMEN1NPC1USP2S1PR2

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
WO-2023154762-A1 SQUARAINE FLUOROPHORES THE GENERAL HOSPITAL CORPORATION (US) 2023-08-17 WO disclosed