SCHEMBL9307736

SCHEMBL9307736

CNCC(CNCc1cccs1)Cc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9375607 0.93 KMT2A (0.50) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL6242631 0.75 CYP3A4 (0.54) KMT2AMEN1LMNAALDH1A1L3MBTL1
SCHEMBL9306614 0.74 THRB (0.53) KMT2AMEN1LMNAALDH1A1L3MBTL1
SCHEMBL10411241 0.69 KMT2A (0.61) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL7294757 0.69 CYP3A4 (0.52) KMT2AMEN1LMNAALDH1A1GFER
SCHEMBL178423 0.66
SCHEMBL16980538 0.66 KMT2A (0.67) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL3159042 0.66 LMNA (0.68) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL2986077 0.65 KMT2A (0.53) KMT2AMEN1LMNAALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6121921 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302370-A Form complexes with rhenium and technetium INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1994-04-12 US disclosed