SCHEMBL27466976

SCHEMBL27466976

COCCCCOc1cccnc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4C Q9H3R0 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
SCHEMBL28287263 0.92 IKBKB (0.47) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL3266308 0.88 LMNA (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL6042801 0.86 PTPN1 (0.51) LMNAMEN1CYP3A4MAPTKMT2A
SCHEMBL353286 0.84 MAPT (0.48) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL6290060 0.83 TBXAS1 (0.39) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL6042670 0.81 BRD4 (0.52) MAPTKMT2APTPN1KDM4EGAA
SCHEMBL29941277 0.81 MKNK1 (0.48) LMNAMEN1KMT2AKDM4EGAA
SCHEMBL6305012 0.81 MKNK1 (0.48) LMNAMEN1KMT2AKDM4EGAA
SCHEMBL29503858 0.80 PLAU (0.53) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL1101140 0.80 PLAU (0.53) LMNAMEN1KMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed