SCHEMBL13985381

SCHEMBL13985381

CCCNC(=O)Nc1ccc(/C=N/NC(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
MGLL Q99685 5/20 0.44
FAAH O00519 4/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL13985372 0.85 RAB9A (0.52) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL13985289 0.83 MGLL (0.49) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL13941331 0.81 CA2 (0.52) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL13985375 0.80 RAB9A (0.62) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL2949066 0.80 RAB9A (0.59) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL13985294 0.79 MAPT (0.45) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL13985370 0.79 NPC1 (0.64) KMT2AMEN1RAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL9577859 0.79 RAB9A (0.58) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL13985373 0.79 FAAH (0.63) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL10711396 0.77 MAOA (0.58) KMT2AMEN1RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed