SCHEMBL8044893

SCHEMBL8044893

CC(=O)N(c1ccccc1)c1ccc(N(C(C)=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.61
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 2/20 0.55
NPC1 O15118 3/20 0.53
APAF1 O14727 2/20 0.53
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
TDP2 O95551 1/20 0.46
NSD2 O96028 1/20 0.46
CASP3 P42574 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
HKDC1 Q2TB90 1/20 0.46

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
SCHEMBL741752 0.97 NPSR1 (0.64) NPSR1KMT2AMEN1TSHRNPC1
Hydrochloric Acid SCHEMBL8550497 0.95 NPSR1 (0.61) NPSR1KMT2AMEN1TSHRNPC1
SCHEMBL1471487 0.93 NPSR1 (0.54) NPSR1KMT2AMEN1TSHRNPC1
SCHEMBL5540103 0.91 NPSR1 (0.52) NPSR1KMT2AMEN1TSHRNPC1
SCHEMBL3975700 0.91 NPSR1 (0.52) NPSR1KMT2AMEN1TSHRNPC1
SCHEMBL8009586 0.89 NPSR1 (0.50) NPSR1KMT2AMEN1TSHRNPC1
SCHEMBL4849374 0.89 NPSR1 (0.50) NPSR1KMT2AMEN1TSHRNPC1
SCHEMBL5605036 0.89 NPC1 (0.54) NPSR1KMT2AMEN1TSHRNPC1
SCHEMBL7526392 0.89 S100A4 (0.56) NPSR1KMT2AMEN1TSHRNPC1
SCHEMBL27583970 0.89 NPC1 (0.54) NPSR1KMT2AMEN1TSHRNPC1

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-0786483-B1 Process for an activated anionic lactam polymerisation INVENTA AG (CH) 2000-04-19 EP claimed
US-5756647-A LIQUID SYSTEM: CATALYST, ACTIVATOR AND SOLVENT EMS-INVENTA AG (CH) 1998-05-26 US claimed
US-5760164-A STORAGE STABILITY EMS-INVENTA AG (CH) 1998-06-02 US disclosed