SCHEMBL27978752

SCHEMBL27978752

COC1CCN(c2ncnc3scc(-c4ccc([N+](=O)[O-])cc4)c23)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.48
PAX8 Q06710 1/20 0.48
PIP4K2C Q8TBX8 1/20 0.48
LMNA P02545 1/20 0.48
ADRB3 P13945 1/20 0.48

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
SCHEMBL14965294 0.85 POLB (0.56) RAB9AKMT2AHTT
SCHEMBL27978731 0.84 LMNA (0.67) KMT2AMEN1LMNAADRB3
SCHEMBL27978708 0.81 KMT2A (0.49) RAB9AKMT2AMEN1
SCHEMBL14965405 0.79
SCHEMBL17599013 0.77 KMT2A (0.53) KMT2AMEN1HTTADRB3
SCHEMBL17599014 0.75 MEN1 (0.49) RAB9AKMT2AMEN1HTTLMNA
SCHEMBL15509303 0.74 RAB9A (1.00) RAB9AKMT2AMEN1LMNA
SCHEMBL27978693 0.72 MEN1 (0.45) KMT2AMEN1LMNAADRB3
SCHEMBL3342412 0.72 ACHE (0.51) RAB9ALMNA
SCHEMBL14965005 0.71 LMNA (0.64) KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104011054-A Thieno- and furo-pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LTD 2014-08-27 CN disclosed