SCHEMBL6129309

SCHEMBL6129309

OC1(Br)c2ccccc2Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.41
ALOX5 P09917 4/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
AHR P35869 2/20 0.37
MEN1 O00255 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RX4 Q99571 2/20 0.32
ATM Q13315 1/20 0.32
PDK2 Q15119 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32

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
SCHEMBL7970207 0.80 ALOX5 (0.44) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL21842178 0.80 ALOX5 (0.44) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL18535897 0.76 CHRM3 (0.41) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL13672457 0.76 CHRM3 (0.45) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL1979795 0.76 CHRM3 (0.41) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL28497182 0.76 ALOX5 (0.41) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL8984710 0.75 ALOX5 (0.44) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL3289558 0.74 ALOX5 (0.48) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL29722 0.73 CHRM3 (0.46) CHRM3ALOX5MAOAMAOBAHR
SCHEMBL7031351 0.73 ALOX5 (0.38) CHRM3ALOX5MAOAMAOBAHR

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