SCHEMBL21596936

SCHEMBL21596936

COCc1cc(OC)c2c(N)onc2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP19A1 P11511 2/20 0.31
CRHR1 P34998 7/20 0.31
KAT7 O95251 1/20 0.31
KAT6B Q8WYB5 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
CA4 P22748 1/20 0.31
GAA P10253 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21596916 0.87 MLYCD (0.32) ALDH1A1MAPK1CA4GAAHTR2A
SCHEMBL21596914 0.83 MAPT (0.38) ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL21596930 0.76 NQO2 (0.41) ALDH1A1POLBCA4
SCHEMBL21596808 0.76 KAT7 (0.39) KAT7KAT6BKAT6AKAT5KAT8
SCHEMBL21596938 0.72 LMNA (0.37) ALDH1A1KAT7KAT6ALMNA
SCHEMBL21596934 0.72 ALDH1A1 (0.34) ALDH1A1POLBCA4
SCHEMBL21596927 0.72 FYN (0.41) ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL21596910 0.72 CA4 (0.30) CA4
SCHEMBL21596919 0.70 TYMS (0.32) ALDH1A1
SCHEMBL21596932 0.69 DCPS (0.51) ALDH1A1MAPK1GAAHTR2B

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
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed