SCHEMBL21907905

SCHEMBL21907905

C#CCCCCN/C=C(\N=N)C(=O)OC

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24915032 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11751761 0.64
Hydrochloric Acid SCHEMBL9216558 0.62 CYP1A2 (0.38) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13460714 0.61 CYP1A2 (0.37) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5153957 0.60 TSHR (0.58) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21887121 0.60 KDM4E (0.62) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2221926 0.60 MAPT (0.38) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7324209 0.60 TDP1 (0.62) MEN1CYP3A4KMT2A
SCHEMBL23342470 0.59 KDM4E (0.30)
SCHEMBL22836423 0.59 MAPT (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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
EP-3164394-B1 GLS1 INHIBITORS FOR TREATING DISEASES UNIV TEXAS (US) 2020-04-01 EP disclosed