SCHEMBL2577553

SCHEMBL2577553

[CH]1CN(C2CCNCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2C P28335 5/20 0.32
HTR2A P28223 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2B P41595 3/20 0.30
SLC18A3 Q16572 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL1130038 0.85
SCHEMBL12128275 0.84 KMT2A (0.35) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL2572578 0.81 KMT2A (0.33) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL735844 0.80
SCHEMBL7466806 0.77 L3MBTL3 (0.39) KMT2AHPGDSMN1; SMN2HTR2CHTR2A
SCHEMBL2572491 0.75 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL737400 0.75
SCHEMBL735797 0.75
SCHEMBL3159987 0.75 HTR6 (0.41) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL336575 0.72 HTR6 (0.50) KMT2AMEN1ALDH1A1MAPTPKM

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
WO-2011133750-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-10-27 WO disclosed
WO-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed