SCHEMBL1399543

SCHEMBL1399543

CC1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
LMNA P02545 4/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 1/20 0.57
THRB P10828 1/20 0.50
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.45
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
WDR5 P61964 1/20 0.41

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
SCHEMBL1047098 1.00 ALDH1A1 (0.58) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL1047097 1.00 ALDH1A1 (0.58) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL4812720 0.85 ALDH1A1 (0.64) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL10126813 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL1046567 0.83 HTT (0.67) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL1046568 0.83 HTT (0.67) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL6211272 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL7805673 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL7812644 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL7812642 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPTKMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086540-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP disclosed
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO disclosed