SCHEMBL8022247

SCHEMBL8022247

COC(=O)c1ccc(NCc2ccccc2OCc2ccccc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.52
LMNA P02545 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ATM Q13315 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL27437443 0.90 GCK (0.55) LMNAMEN1KMT2AGAAMAPT
SCHEMBL8155617 0.88 LMNA (0.46) GABRA5LMNAMEN1KMT2AGAA
SCHEMBL8162400 0.84 SMN1; SMN2 (0.50) GABRA5MEN1KMT2AGAAMAPT
SCHEMBL20722658 0.84 CA1 (0.62) GABRA5L3MBTL1KDM4EHDAC3HDAC1
SCHEMBL6255906 0.84 GABRA5 (0.53) GABRA5L3MBTL1KDM4EATMHDAC1
SCHEMBL8163768 0.81 GABRA5 (0.52) GABRA5LMNAMEN1KMT2AGAA
SCHEMBL8325607 0.81 PTGER1 (0.52) LMNAKMT2AMAPTL3MBTL1HPGD
SCHEMBL4829706 0.80 ATM (0.64) GAAKDM4EATMHDAC3HDAC1
SCHEMBL7348393 0.80 SGMS2 (0.65) MEN1KMT2AGAAKDM4ETP53
SCHEMBL8155926 0.79 CCR5 (0.50) LMNAALDH1A1RAB9APTGER1

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
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed