SCHEMBL20765787

SCHEMBL20765787

O=C(O)c1c[nH]c2cc(C(=O)N3CCN(Cc4ccccc4F)CC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HTT P42858 2/20 0.56
MAPK14 Q16539 2/20 0.52
HRH3 Q9Y5N1 6/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL20765520 0.82 HRH3 (0.43) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765522 0.82 HRH3 (0.43) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765756 0.81 MAPK14 (0.72) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765529 0.78 ALDH1A1 (0.74) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20782400 0.76 KDM4E (0.59) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765497 0.75 MGLL (0.58) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2219924 0.75 HRH3 (0.81) KDM4ELMNAKMT2AHRH3
SCHEMBL28133023 0.74 HRH3 (0.55) KDM4EALDH1A1LMNAKMT2AHRH3
SCHEMBL2216244 0.73 HRH3 (0.79) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20782579 0.73 ALDH1A1 (0.55) KDM4EALDH1A1LMNAMEN1KMT2A

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
WO-2019038683-A1 COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) 2019-02-28 WO claimed
WO-2019038683-A1 COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) 2019-02-28 WO disclosed