SCHEMBL9533570

SCHEMBL9533570

COc1cccc2c(=O)n3c(nc12)SCC3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 7/20 0.52
CYP1A2 P05177 2/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47

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
SCHEMBL12349572 0.73 ALDH1A1 (0.83) ALDH1A1MAPTKDM4ECYP1A2GAA
SCHEMBL7571452 0.69 HRH3 (0.50) ALDH1A1KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL11179647 0.68 RXFP1 (0.46) ALDH1A1MAPTKDM4ECYP1A2GAA
SCHEMBL9006419 0.68 XDH (0.49) ALDH1A1MAPTKDM4ECYP1A2GAA
SCHEMBL9533817 0.68 TNKS (0.43) ALDH1A1KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL8128430 0.67 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP1A2GAA
SCHEMBL9534241 0.67 PKM (0.50) ALDH1A1MAPTKDM4ECYP1A2CYP1A1
SCHEMBL11181520 0.66 CYP2C19 (0.49) ALDH1A1MAPTKDM4ECYP1A2GAA
SCHEMBL10695759 0.66 CYP1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL9536686 0.66 KDM4E (0.59) ALDH1A1MAPTKDM4ECYP1A2CYP1A1

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-0263523-B1 Process for the preparation of thiazolo [2,3-b] quinazolones BASF AG (DE) 1993-12-29 EP disclosed