SCHEMBL20765776

SCHEMBL20765776

CC(C)c1nc2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 6/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.49
GAA P10253 1/20 0.47
PKM P14618 2/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
MAPK14 Q16539 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL20765497 0.84 MGLL (0.58) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765671 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765616 0.81 KDM4E (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765538 0.81 FGFR1 (0.57) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20683046 0.79 HRH4 (0.58) ALDH1A1MEN1KMT2AHRH3
SCHEMBL20765634 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765756 0.78 MAPK14 (0.72) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765612 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20782579 0.76 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20782400 0.75 KDM4E (0.59) ALDH1A1KDM4ELMNAMEN1KMT2A

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-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