SCHEMBL39665

SCHEMBL39665

O=C1CCON1c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
HTT P42858 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KMT2A Q03164 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PRKDC P78527 1/20 0.32
MAPT P10636 5/20 0.32
ALDH1A1 P00352 5/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 3/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL9489951 0.73 KDM4E (0.37) KDM4EHTTKMT2ASMN1; SMN2PRKDC
SCHEMBL11036457 0.67 KEAP1 (0.40) KDM4EHTTKMT2ASMN1; SMN2MAPT
SCHEMBL40342 0.67 TNKS (0.35) KDM4ESMN1; SMN2PRKDCMAPTALDH1A1
SCHEMBL14860683 0.66 CRBN (0.49) KDM4ESMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL11154155 0.66 KMT2A (0.40) KDM4EHTTKMT2ASMN1; SMN2MAPT
SCHEMBL21047591 0.65 PRKDC (0.40) KDM4EHTTKMT2ASMN1; SMN2PRKDC
SCHEMBL31300122 0.64 AKR1C3 (0.40) KMT2ASMN1; SMN2POLBMEN1HSD17B10
SCHEMBL849461 0.63 L3MBTL1 (0.57) KMT2AMAPTALDH1A1MEN1L3MBTL1
SCHEMBL39726 0.63 MAPT (0.49) KDM4EKMT2ASMN1; SMN2PRKDCMAPT
SCHEMBL21047699 0.63 PRKDC (0.35) KDM4EHTTKMT2ASMN1; SMN2PRKDC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3682947-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 GB006, Inc. (US) 2020-07-22 EP disclosed
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
CN-106038558-B Compounds and methods for modulating integrin CD11b/CD18 GB006公司 2020-01-10 CN disclosed
EP-3243821-A1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2017-11-15 EP disclosed
EP-2591092-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2013-05-15 EP disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed