SCHEMBL25370415

SCHEMBL25370415

O=C1c2ccccc2C(=O)N1CCCc1nc2ccc(C(F)(F)F)cc2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.51
PDE10A Q9Y233 1/20 0.44
PARP2 Q9UGN5 2/20 0.44
TNKS O95271 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL30642005 1.00 PARP1 (0.51) PARP1PDE10APARP2TNKSMEN1
SCHEMBL25366837 0.83 CCNB2 (0.43) PARP1PDE10AMEN1KMT2AMAPT
SCHEMBL30642000 0.83 CCNB2 (0.43) PARP1PDE10AMEN1KMT2AMAPT
SCHEMBL25368196 0.81 MAPT (0.40) PDE10AMEN1KMT2AMAPTKDM4E
SCHEMBL30641999 0.81 MAPT (0.40) PDE10AMEN1KMT2AMAPTKDM4E
SCHEMBL26042892 0.78 TDP1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL31467354 0.78 TDP1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL31467294 0.76 MAPT (0.41) PDE10AMEN1KMT2AMAPTKDM4E
SCHEMBL26042891 0.76 MAPT (0.41) PDE10AMEN1KMT2AMAPTKDM4E
SCHEMBL23882091 0.74 KDM4E (0.52) TNKSMEN1KMT2AMAPTKDM4E

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-2023161881-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed