SCHEMBL8894718

SCHEMBL8894718

CN(C[C]=O)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LIN28A Q9H9Z2 1/20 0.50
KCNA5 P22460 2/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.40
TERT O14746 1/20 0.40

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
SCHEMBL7414349 0.83 KDM4E (0.56) MAPTTDP1SMN1; SMN2KDM4ETSHR
SCHEMBL804182 0.83 TDP1 (0.63) MAPTTDP1SMN1; SMN2LIN28AKCNA5
Hydrochloric Acid SCHEMBL28308406 0.81 TDP1 (0.61) MAPTTDP1SMN1; SMN2LIN28AKCNA5
SCHEMBL996544 0.80 TDP1 (0.64) MAPTTDP1SMN1; SMN2LIN28AKCNA5
SCHEMBL3666709 0.79 TDP1 (0.53) MAPTTDP1SMN1; SMN2LIN28AKCNA5
SCHEMBL2323126 0.78 TDP1 (0.57) MAPTTDP1SMN1; SMN2LIN28AKCNA5
SCHEMBL18301478 0.77 TDP1 (0.55) MAPTTDP1SMN1; SMN2LIN28AKCNA5
SCHEMBL12245197 0.77 TDP1 (0.55) MAPTTDP1SMN1; SMN2LIN28AKCNA5
SCHEMBL30093166 0.77 KDM4E (0.64) MAPTTDP1SMN1; SMN2LIN28AKCNA5
SCHEMBL6051881 0.77 TDP1 (0.60) MAPTTDP1SMN1; SMN2LIN28AKCNA5

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
CN-1112125-A Acyloxyhexanoic acid derivatives CIBA GEIGY AG (CH) 1995-11-22 CN claimed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed