SCHEMBL25666124

SCHEMBL25666124

O=C(O)c1cc(F)ccc1Nc1c(N2CCOCC2)cnc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CSF1R P07333 4/20 0.42
KCNH2 Q12809 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
AHR P35869 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
SCN5A Q14524 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL25666149 0.93 CSF1R (0.44) CSF1RKCNH2SCN5ATP53THRB
SCHEMBL25666122 0.89 KCNH2 (0.48) RXFP1ALDH1A1KCNH2MAPTMAPK1
SCHEMBL25666121 0.89 KMT2A (0.46) RXFP1ALDH1A1CSF1RKCNH2MAPT
SCHEMBL25666177 0.89 CSF1R (0.42) CSF1RKCNH2SCN5A
SCHEMBL25666211 0.89 KMT2A (0.48) CSF1RKCNH2MAPTMAPK1TP53
SCHEMBL25666147 0.87 KCNH2 (0.52) CSF1RKCNH2MAPTHTTSCN5A
SCHEMBL25666146 0.87 KMT2A (0.46) CSF1RKCNH2MAPTMAPK1TP53
SCHEMBL25666144 0.87 RXFP1 (0.46) RXFP1ALDH1A1KCNH2USP2
SCHEMBL25666151 0.85 PDE4B (0.46) CSF1RKCNH2
SCHEMBL25229097 0.82 KMT2A (0.52) CSF1RKCNH2MAPTMAPK1GAA

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-2023086220-A2 PAPD5 INHIBITORS AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-05-19 WO disclosed