SCHEMBL7092594

SCHEMBL7092594

O=c1cc(-c2ccccc2)oc2cc(N3CCCCC3)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(N3CCOCC3)cc(O)c12

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.91
CCNC P24863 5/20 0.60
CDK8 P49336 5/20 0.60
MAPT P10636 5/20 0.59
ABCB1 P08183 5/20 0.59
CYP3A4 P08684 4/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 3/20 0.59
CYP1A1 P04798 3/20 0.59
CYP1A2 P05177 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP1B1 Q16678 3/20 0.59
FTO Q9C0B1 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
ABCG2 Q9UNQ0 2/20 0.59
KDM4E B2RXH2 2/20 0.59
GABRP O00591 2/20 0.59
GABRD O14764 2/20 0.59

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
SCHEMBL5063530 0.96 PRKDC (1.00) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL29492842 0.96 PRKDC (1.00) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5058392 0.94 PRKDC (0.80) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL28762682 0.86 PRKDC (0.81) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5058357 0.83 PRKDC (0.77) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5055259 0.82 PRKDC (0.74) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5063525 0.82 PRKDC (0.74) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5054842 0.81 PRKDC (0.74) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5054849 0.76 PRKDC (0.67) PRKDCMAPTABCB1CYP3A4MEN1
SCHEMBL7089208 0.76 PRKDC (0.54) PRKDCCCNCCDK8MAPTABCB1

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
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed