SCHEMBL25909192

SCHEMBL25909192

NC(=O)[C@@H]1C[C@H]1c1ccc(Br)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.61
KCNH2 Q12809 4/20 0.61
KDM1B Q8NB78 4/20 0.61
SLC9A1 P19634 4/20 0.57
RCOR1 Q9UKL0 1/20 0.40
KIF11 P52732 1/20 0.40
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL22654463 1.00 KDM1A (0.61) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL30477029 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL22654465 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL29033471 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL20065138 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL18198488 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL22654460 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL31424355 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL30477034 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL25831221 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1

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-2023125846-A1 COMPOUND FOR PREVENTING AND TREATING CORONAVIRUS INFECTION, CONJUGATE THEREOF AND METHOD THEREFOR 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed