SCHEMBL20765616

SCHEMBL20765616

O=C(c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1)N1CCN(Cc2ccccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MGLL Q99685 1/20 0.51
HDAC6 Q9UBN7 5/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HTT P42858 1/20 0.47
CHEK2 O96017 7/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
NR4A2 P43354 1/20 0.45

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 0.94 MGLL (0.58) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765538 0.86 FGFR1 (0.57) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20782579 0.86 ALDH1A1 (0.55) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765467 0.84 ALDH1A1 (0.52) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765634 0.83 ALDH1A1 (0.50) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765510 0.82 ALDH1A1 (0.48) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765776 0.81 ALDH1A1 (0.54) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765593 0.81 KDM4E (0.48) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20765495 0.81 MGLL (0.56) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL20765671 0.80 ALDH1A1 (0.51) 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 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