SCHEMBL27264458

SCHEMBL27264458

[CH2]N1C=Cc2c(N)cccc2C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CD44 P16070 1/20 0.30

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
SCHEMBL4777972 0.78 ADRA2C (0.34) KDM4EMEN1ALDH1A1LMNAGAA
Iodide SCHEMBL7792123 0.76 ADRA2C (0.33) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL27678947 0.74 CRBN (0.30) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL26597046 0.74 KDM4E (0.30) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL26605877 0.74 KDM4E (0.30) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL27762859 0.71 PARP1 (0.34)
SCHEMBL28048323 0.70 HTR1A (0.31) MEN1ALDH1A1KMT2A
Bromide SCHEMBL28246683 0.69 HTR1A (0.30)
Bromide SCHEMBL7991329 0.69 PARP1 (0.34) MEN1ALDH1A1LMNAMAPTHPGD
SCHEMBL26607949 0.69 RIPK1 (0.30)

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
CN-1022629-C Process for the preparation of novel cephalosporin compounds MEIJIE SEIKA KAISHA LTD (JP) 1993-11-03 CN disclosed
CN-88102467-A Process for the preparation of cephalosporin compounds and antibiotics 1988-12-14 CN disclosed