SCHEMBL17599013

SCHEMBL17599013

O=[N+]([O-])c1ccc(-c2csc3ncnc(N4CCC(CO)CC4)c23)cc1.OCC1C2CN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47

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 0.90 POLB (0.56) KMT2APOLBHTT
SCHEMBL17599014 0.84 MEN1 (0.49) KMT2AMEN1HTTMAPTADRB2
SCHEMBL27978752 0.77 RAB9A (0.58) KMT2AMEN1HTTADRB3
SCHEMBL17599008 0.76 KMT2A (0.77) KMT2AMEN1POLBHTT
SCHEMBL14965405 0.75
SCHEMBL14965217 0.74 ADRB2 (0.62) KMT2AMEN1HTTMAPTADRB2
SCHEMBL4430810 0.74 MEN1 (0.66) KMT2AMEN1HTTMAPTADRB2
SCHEMBL14965453 0.72 ADRB2 (0.61) KMT2AMEN1HTTMAPTADRB2
SCHEMBL27978708 0.71 KMT2A (0.49) KMT2AMEN1
SCHEMBL16293337 0.71 MEN1 (0.55) KMT2AMEN1MAPTATM

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
US-9290511-B2 Thieno-pyrimidines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2016-03-22 US disclosed