SCHEMBL6567267

SCHEMBL6567267

O=C(c1ccc2[nH]nnc2c1O)c1ccc2[nH]nnc2c1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 1/20 0.31
ABL1 P00519 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
BCR P11274 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL6052102 0.87 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9171594 0.86 ALDH1A1 (0.46) ALDH1A1
Silver SCHEMBL9171598 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL378661 0.76 FGFR1 (0.30)
SCHEMBL2188295 0.76 PARP1 (0.39) FLT3
SCHEMBL4066807 0.75 HTT (0.46) ALDH1A1
SCHEMBL8908207 0.74 ALDH1A1 (0.30) ALDH1A1ABL1PDGFRBKITBCR
SCHEMBL5702764 0.73 KDM4E (0.34)
SCHEMBL2995564 0.73 DPP4 (0.36) ALDH1A1
SCHEMBL873880 0.73 HSP90AA1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446371-A1 METHOD FOR THE PRODUCTION OF VINYL-ARENES, -HETEROARENES AND 1,3-DIENES FROM ARYL-, HETEROARYL- OR VINYL-CARBOXYLIC ACID DERIVATIVES Studiengesellschaft Kohle mbH (DE) 2004-08-18 EP disclosed
WO-2003043958-A1 METHOD FOR THE PRODUCTION OF VINYL-ARENES, -HETEROARENES AND 1,3-DIENES FROM ARYL-, HETEROARYL- OR VINYL-CARBOXYLIC ACID DERIVATIVES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-05-30 WO disclosed
US-5672605-A ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 1997-09-30 US disclosed
US-5583139-A Marcolide immunomodulators ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
EP-0729471-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS Abbott Laboratories (US) 1996-09-04 EP disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed