SCHEMBL6129307

SCHEMBL6129307

OC1c2ccccc2Oc2cccc(Br)c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ATM Q13315 2/20 0.41
CYP2C9 P11712 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
GRM1 Q13255 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL7970204 0.80 MAOA (0.64) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL28103142 0.80 MAOA (0.44) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL11728246 0.79 MAOA (0.62) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL29959896 0.79 MAOA (0.62) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL1979794 0.79 MAOA (0.62) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL521775 0.78 MAOA (1.00) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL29419966 0.78 MAOA (1.00) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL28681589 0.76 MAOA (0.95) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL22868019 0.75 MAOA (0.56) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL27872499 0.75 HDAC3 (0.39) MAOAMAOBHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042727-A4 METHOD OF CANCER CELL DETECTION APPLIED SPECTRAL IMAGING LTD (IL) 2005-11-30 EP disclosed
EP-1015844-A4 SPECTRAL BIO-IMAGING METHODS FOR CELL CLASSIFICATION APPLIED SPECTRAL IMAGING LTD (IL) 2005-04-27 EP disclosed
US-6690817-B1 Spectral bio-imaging data for cell classification using internal reference APPLIED SPECTRAL IMAGING LTD. (IL) 2004-02-10 US disclosed
EP-1114393-A1 SPECTRAL BIO-IMAGING DATA FOR CELL CLASSIFICATION USING INTERNAL REFERENCE Applied Spectral Imaging Ltd. (IL) 2001-07-11 EP disclosed
EP-1042727-A1 METHOD OF CANCER CELL DETECTION Applied Spectral Imaging Ltd. (IL) 2000-10-11 EP disclosed
EP-1015844-A1 SPECTRAL BIO-IMAGING METHODS FOR CELL CLASSIFICATION Applied Spectral Imaging Ltd. (IL) 2000-07-05 EP disclosed
WO-2000017808-A1 SPECTRAL BIO-IMAGING DATA FOR CELL CLASSIFICATION USING INTERNAL REFERENCE APPLIED SPECTRAL IMAGING LTD. (IL) 2000-03-30 WO disclosed
US-5995645-A Method of cancer cell detection APPLIED SPECTRAL IMAGING LTD. (IL) 1999-11-30 US disclosed
US-5991028-A Spectral bio-imaging methods for cell classification APPLIED SPECTRAL IMAGING LTD. (IL) 1999-11-23 US disclosed
EP-0830564-A4 SPECTRAL BIO-IMAGING METHODS FOR BIOLOGICAL RESEARCH, MEDICAL DIAGNOSTICS AND THERAPY SPECTRAL DIAGNOSTIC LTD (IL) 1999-11-10 EP disclosed
WO-1999028856-A1 METHOD OF CANCER CELL DETECTION APPLIED SPECTRAL IMAGING LTD. (IL) 1999-06-10 WO disclosed
WO-1998043042-A9 SPECTRAL BIO-IMAGING METHODS FOR CELL CLASSIFICATION 1999-03-04 WO disclosed
WO-1998043042-A1 SPECTRAL BIO-IMAGING METHODS FOR CELL CLASSIFICATION APPLIED SPECTRAL IMAGING LTD. (IL) 1998-10-01 WO disclosed
US-5784162-A Spectral bio-imaging methods for biological research, medical diagnostics and therapy APPLIED SPECTRAL IMAGING LTD. (IL) 1998-07-21 US disclosed
EP-0830564-A1 SPECTRAL BIO-IMAGING METHODS FOR BIOLOGICAL RESEARCH, MEDICAL DIAGNOSTICS AND THERAPY Spectral Diagnostic Ltd (IL) 1998-03-25 EP disclosed
WO-1997021979-A1 SPECTRAL BIO-IMAGING METHODS FOR BIOLOGICAL RESEARCH, MEDICAL DIAGNOSTICS AND THERAPY SPECTRAL DIAGNOSTIC LTD. (IL) 1997-06-19 WO disclosed