SCHEMBL31205615

SCHEMBL31205615

COC(=O)C1Cc2ccc(Cl)cc2CN1C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.51
HDAC8 Q9BY41 5/20 0.41
ALDH1A1 P00352 1/20 0.39
P2RX7 Q99572 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 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
SCHEMBL32677156 0.90 PTPN1 (0.51) PTPN1HDAC8ALDH1A1P2RX7POLB
SCHEMBL2730308 0.90 PTPN1 (0.51) PTPN1HDAC8ALDH1A1P2RX7POLB
SCHEMBL29798976 0.90 PTPN1 (0.51) PTPN1HDAC8ALDH1A1P2RX7POLB
SCHEMBL32676714 0.90 PTPN1 (0.51) PTPN1HDAC8ALDH1A1P2RX7POLB
SCHEMBL32676857 0.85 PTPN1 (0.46) PTPN1ALDH1A1P2RX7POLBMEN1
SCHEMBL32677157 0.85 PTPN1 (0.46) PTPN1ALDH1A1P2RX7POLBMEN1
SCHEMBL2730312 0.83 PTPN1 (0.50) PTPN1ALDH1A1P2RX7POLBMEN1
SCHEMBL31205610 0.83 PTPN1 (0.42) PTPN1HDAC8ALDH1A1CYP19A1NPSR1
SCHEMBL32677163 0.82 PTPN1 (0.49) PTPN1ALDH1A1P2RX7POLBMEN1
SCHEMBL16196417 0.81 PTPN1 (0.49) PTPN1ALDH1A1P2RX7POLBMEN1

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-2024233766-A1 MACROCYCLIC ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2024-11-14 WO disclosed