SCHEMBL4554895

SCHEMBL4554895

CCC(=O)Nn1ccnn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
TP53 P04637 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
SCHEMBL15751967 0.81 MAPT (0.43) ALDH1A1MEN1KMT2AATM
SCHEMBL170055 0.79
SCHEMBL8815053 0.77
SCHEMBL29918537 0.74 KDM4E (0.36) ALDH1A1MEN1KMT2ATP53
SCHEMBL4308472 0.73 GLS (0.38) TSHRMEN1KMT2ATP53
SCHEMBL3667667 0.69
SCHEMBL2754358 0.68 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AATM
SCHEMBL18922785 0.66 MEN1 (0.48) TSHRMEN1KMT2ATP53
SCHEMBL14678290 0.66
SCHEMBL14689260 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP claimed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO claimed
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO claimed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed
EP-2900665-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed