SCHEMBL25262425

SCHEMBL25262425

COc1ccc(C#CCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
RPS6KA2 Q15349 2/20 0.54
CASP3 P42574 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RECQL P46063 1/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
NR1H3 Q13133 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL30475419 1.00 RAB9A (0.58) RAB9ARPS6KA2CASP3NPC1KMT2A
SCHEMBL8803206 0.85 MMP2 (0.53) RAB9ARPS6KA2KMT2APOLBMEN1
SCHEMBL10422970 0.82 SMN1; SMN2 (0.48) RAB9ACASP3NPC1POLBGAA
SCHEMBL4940343 0.80 ADRA1D (0.43) POLBGAANR1H3NPSR1
SCHEMBL8706627 0.80 RECQL (0.60) RAB9ARPS6KA2CASP3NPC1KMT2A
SCHEMBL26132228 0.77 ADRA2A (0.40) POLBGAANPSR1
SCHEMBL9770552 0.76 RAB9A (0.71) RAB9ARPS6KA2CASP3NPC1KMT2A
SCHEMBL30296449 0.73 CASP3 (0.88) CASP3KMT2AGAAMEN1
SCHEMBL45154 0.73 CASP3 (0.88) CASP3KMT2AGAAMEN1
SCHEMBL10050510 0.73 RAB9A (0.85) RAB9ANPC1KMT2AHSD17B10POLB

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
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 EP disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed