SCHEMBL14802159

SCHEMBL14802159

Cc1cc(N2CCOCC2)cc2c1c(=O)c1ccccc1n2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.52
RAD52 P43351 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
ABCB1 P08183 2/20 0.43
KIF11 P52732 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL14802160 0.87 PRKDC (0.68) PRKDCRAD52L3MBTL1MEN1KMT2A
SCHEMBL14802157 0.77 PRKDC (0.50) PRKDCMEN1KMT2AMAPTKIF11
SCHEMBL14802158 0.71 MAPT (0.68) MAPTCYP2C19HTTGAAALDH1A1
SCHEMBL18949722 0.70 AHR (0.57) L3MBTL1MEN1KMT2AMAPTCYP2C19
SCHEMBL5440678 0.70 PRKDC (0.61) PRKDCL3MBTL1MEN1KMT2AMAPT
SCHEMBL14139228 0.70 PRKDC (0.54) PRKDCMEN1KMT2AMAPTCYP2C19
SCHEMBL5440733 0.68 PRKDC (0.65) PRKDCL3MBTL1MEN1KMT2AMAPT
SCHEMBL5444182 0.68 PRKDC (1.00) PRKDCL3MBTL1MEN1KMT2AMAPT
SCHEMBL10067357 0.67 MEN1 (0.65) MEN1KMT2AMAPTCYP2C19HTT
SCHEMBL30480878 0.67 PRKDC (0.44) PRKDCMEN1KMT2AMAPTHTT

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-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed