SCHEMBL9775729

SCHEMBL9775729

NCCN(C(=O)c1ccc(N)cc1)C(=O)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.42
LMNA P02545 6/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
MAOA P21397 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR3A P46098 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
BLM P54132 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PMP22 Q01453 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5162402 0.83 LMNA (0.41) PHLPP2LMNATSHRCYP1A2CYP3A4
SCHEMBL28959040 0.82 ROCK1 (0.46) CYP3A4KMT2ANPC1RAB9A
SCHEMBL633271 0.82 ADRA2C (0.56) TSHRCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL11220850 0.78 CA1 (0.52) MAPTKDM4EPKMHPGDPARP10
SCHEMBL8661374 0.78 LOXL2 (0.56) TSHRALDH1A1MAPK1MAPTKDM4E
SCHEMBL25390111 0.74 SCN1A (0.47) ADRA2CSCN1ASCN2ASCN3A
SCHEMBL12156519 0.74 LIMK2 (0.62) CYP3A4KDM4EMEN1KMT2ATDP1
SCHEMBL11718165 0.72 NPC1 (0.49) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL11717608 0.72 NPC1 (0.49) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL11711619 0.72 NPC1 (0.49) LMNATSHRCYP1A2CYP3A4CYP2D6

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-5059683-A Dyeing paper, textiles, leather SANDOZ LTD. (CH) 1991-10-22 US disclosed
EP-0341214-A2 Basic 6-hydroxypyrid-2-one compounds SANDOZ AG (CH) 1989-11-08 EP disclosed