SCHEMBL9685817

SCHEMBL9685817

COc1cc(OC)nc(C(=N)NN)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
PDE2A O00408 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
CTSA P10619 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL9687873 0.91 ALDH1A1 (0.42) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL25300109 0.82 CYP1A2 (0.43) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL16571594 0.78 CYP1A2 (0.41) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL21884142 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL17984662 0.76 ALDH1A1 (0.40) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL9688059 0.75 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL577637 0.69 POLB (0.53) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL578033 0.69 CYP1A2 (0.41) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8404026 0.69 ALDH1A1 (0.64) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1006385 0.69 CYP1A2 (0.53) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2

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-0484750-A1 Substituted sulfonylaminotriazolylpyrimidines BAYER AG (DE) 1992-05-13 EP disclosed