SCHEMBL7615940

SCHEMBL7615940

CSc1cccc2c1c(O)c(C(=O)N(C)c1ccc(F)cc1F)c(=O)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
PGR P06401 1/20 0.42
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RORC P51449 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
HTT P42858 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HIF1A Q16665 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL7614121 0.92 HDAC4 (0.46) HDAC4MEN1KMT2APGRMAPT
SCHEMBL7620493 0.88 HDAC4 (0.39) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL1573840 0.86 HDAC4 (0.48) HDAC4MEN1KMT2APGRMAPT
SCHEMBL5163474 0.85 HDAC4 (0.64) HDAC4MEN1KMT2APGRMAPT
SCHEMBL5165679 0.85 HDAC4 (0.47) HDAC4MEN1KMT2APGRMAPT
SCHEMBL7722530 0.83 HDAC4 (0.46) HDAC4MEN1KMT2APGRMAPT
SCHEMBL7722529 0.83 HDAC4 (0.46) HDAC4MEN1KMT2APGRMAPT
SCHEMBL7617562 0.83 HDAC4 (0.45) HDAC4MEN1KMT2APGRMAPT
SCHEMBL7612626 0.80 MEN1 (0.65) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7619694 0.79 MEN1 (0.45) HDAC4MEN1KMT2APGRMAPT

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-1097139-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2002-12-04 EP claimed
EP-1097139-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2002-12-04 EP disclosed