SCHEMBL26042891

SCHEMBL26042891

O=C1c2ccccc2C(=O)N1CCc1nc(Cl)c2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE10A Q9Y233 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
CASP3 P42574 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL31467294 1.00 MAPT (0.41) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL25368196 0.94 MAPT (0.40) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL30641999 0.94 MAPT (0.40) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL26042892 0.93 TDP1 (0.43) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL31467354 0.93 TDP1 (0.43) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL26042893 0.86 SMN1; SMN2 (0.37) MAPTALDH1A1KDM4ECYP1A2HPGD
SCHEMBL31467368 0.86 SMN1; SMN2 (0.37) MAPTALDH1A1KDM4ECYP1A2HPGD
SCHEMBL30642005 0.76 PARP1 (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL25370415 0.76 PARP1 (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5029517 0.73 MCHR1 (0.39)

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