SCHEMBL12469669

SCHEMBL12469669

CC1CC(C)CN(c2c(F)cc(N)cc2F)C1.CC1CC(C)CN(c2c(F)cc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 8/20 0.36
LMNA P02545 6/20 0.36
MAPK1 P28482 1/20 0.34
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
SCHEMBL240096 0.93 MAPT (0.43) MAPTKDM4EKMT2ASMN1; SMN2POLB
SCHEMBL236762 0.85 KDM4E (0.35) MAPTKDM4EKMT2ASMN1; SMN2POLB
SCHEMBL12547367 0.79 ALDH1A1 (0.49) MAPTKMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL6211391 0.78 ALDH1A1 (0.40) MAPTKDM4EKMT2ASMN1; SMN2POLB
SCHEMBL30890308 0.77 HTT (0.53) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31640059 0.77 HTT (0.53) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4705323 0.76 ALDH1A1 (0.41) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4703887 0.75 ALDH1A1 (0.40) MAPTKDM4EKMT2ASMN1; SMN2POLB
SCHEMBL5281743 0.74 ALDH1A1 (0.38) MAPTKMT2APOLBALDH1A1LMNA
SCHEMBL6209802 0.74 ALDH1A1 (0.39) MAPTKMT2ASMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed