SCHEMBL6137843

SCHEMBL6137843

N=C(N)N(CCCCc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LMNA P02545 1/20 0.43
NOS1 P29475 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LPAR1 Q92633 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42

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
SCHEMBL6137934 0.91 SCN5A (0.49) NPC1RAB9AKMT2ASIGMAR1MAPT
SCHEMBL6003647 0.87 LPAR1 (0.53) TDP1NPC1RAB9AKMT2AMAPT
SCHEMBL8582839 0.84 HPGD (0.44) NPC1RAB9AGRIN2DGRIN3BGRIN1
SCHEMBL6137825 0.82 HPGD (0.50) KMT2ASIGMAR1F2F10F7
SCHEMBL6137874 0.81 F2 (0.54) F2F10F7HDAC3HDAC4
SCHEMBL6138071 0.79 MAPT (0.47) TDP1NPC1RAB9ALMNANOS1
SCHEMBL31485731 0.77 NOS1 (0.52) TDP1NOS1KMT2A
SCHEMBL1744969 0.77 NOS1 (0.52) TDP1NPC1RAB9ANOS1KMT2A
Hydrochloric Acid SCHEMBL7881498 0.77 AR (0.50) MAPTMAPK1
SCHEMBL7332659 0.74 BLM (0.42) TDP1KMT2AMAPTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO disclosed