SCHEMBL22123647

SCHEMBL22123647

CCC(Br)C(=O)c1ccc(C(N)=O)c(F)c1N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
PARP1 P09874 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28615279 0.76 HSP90AB1 (0.41) DGAT1HTR1AHTR7PARP1ALDH1A1
SCHEMBL28466149 0.73 HPGD (0.40) DGAT1HTR1AHTR7PARP1ALDH1A1
SCHEMBL3026191 0.73 DGAT1 (0.47) DGAT1HTR1AHTR7PARP1ALDH1A1
SCHEMBL28624518 0.71 HTR7 (0.46) HTR1AHTR7ALDH1A1KMT2A
SCHEMBL811064 0.68 DGAT1 (0.52) DGAT1PARP1ALDH1A1KMT2A
SCHEMBL24630649 0.66 DGAT1 (0.48) DGAT1ALDH1A1KMT2A
SCHEMBL30124998 0.66 DGAT1 (0.48) DGAT1ALDH1A1KMT2A
SCHEMBL671054 0.66 KMT2A (0.48) DGAT1ALDH1A1KMT2A
SCHEMBL21357388 0.66 KMT2A (0.51) DGAT1ALDH1A1KMT2A
SCHEMBL21357386 0.66 KMT2A (0.51) DGAT1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898633-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed