SCHEMBL20902011

SCHEMBL20902011

COCc1c(C)cccc1N(N)C(=O)NN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 5/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
SCN4A P35499 1/20 0.33
MC3R P41968 1/20 0.33
HTR3A P46098 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN3A Q9NY46 1/20 0.33
BLM P54132 1/20 0.32

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
SCHEMBL20845190 0.85 TP53 (0.35) TP53GAALMNAMAPTALDH1A1
SCHEMBL22059497 0.85 ALDH1A1 (0.34) MEN1TP53KMT2AGAALMNA
SCHEMBL19909909 0.83 LMNA (0.37) MEN1TP53KMT2AGAALMNA
SCHEMBL18831730 0.82 PTPN1 (0.34) MEN1TP53KMT2AGAAPTPN1
SCHEMBL20342696 0.81 NOTUM (0.34) MEN1TP53KMT2AGAALMNA
Methane SCHEMBL23056763 0.81 PTPN1 (0.33) MEN1TP53KMT2AGAAPTPN1
SCHEMBL22059937 0.80 MRGPRX4 (0.46) MEN1TP53KMT2ALMNAMAPT
SCHEMBL22038670 0.80 PTGER4 (0.40) KMT2AGAALMNAALDH1A1SMN1; SMN2
SCHEMBL22037713 0.80 ALDH1A1 (0.49) TP53KMT2ALMNAMAPTALDH1A1
SCHEMBL21317989 0.79 SMN1; SMN2 (0.45) MEN1TP53KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023634-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2022-07-06 EP disclosed
WO-2021039660-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND 住友化学株式会社 2021-03-04 WO disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3025586-B1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE SUMITOMO CHEMICAL CO (JP) 2019-04-17 EP disclosed