SCHEMBL7760480

SCHEMBL7760480

N#CSc1ccc(N)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 2/20 0.59
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
USP2 O75604 2/20 0.47
LMNA P02545 1/20 0.44
USP8 P40818 1/20 0.44
USP5 P45974 1/20 0.44
USP4 Q13107 1/20 0.44
USP7 Q93009 1/20 0.44
CYP2C9 P11712 1/20 0.35
MDM4 O15151 1/20 0.35
MCL1 Q07820 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL18346209 0.80 KDM4E (0.59) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL7760561 0.78 IMPDH2 (0.37) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL24203623 0.77 KDM4E (0.81) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL21564138 0.76 PKM (0.37) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL6099368 0.76 USP2 (0.44) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL11874781 0.76 PDE7A (0.53) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL11373902 0.75 USP2 (0.47) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL8866260 0.74 KDM4E (1.00) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL204121 0.73 KDM4E (0.69) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL30839883 0.73 KDM4E (0.69) KDM4EMAPTALDH1A1HPGDCYP1A2

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-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 EP disclosed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed