SCHEMBL8942238

SCHEMBL8942238

O=C(Oc1ccccc1)c1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 9/20 0.58
CTSA P10619 4/20 0.51
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11043171 0.86 ALKBH5 (0.55) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL1819463 0.84 ALKBH5 (0.61) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL951472 0.80 ALKBH5 (0.73) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL2229684 0.79 MAPT (0.62) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL11334785 0.79 ALKBH5 (0.61) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL11441556 0.78 ALKBH5 (0.59) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL10976136 0.78 ALKBH5 (0.55) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL10885655 0.77 ALKBH5 (0.50) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL8942096 0.75 TSHR (0.49) ALKBH5CTSATSHRLMNAMAPT
SCHEMBL8942505 0.74 ALKBH5 (0.55) ALKBH5CTSATSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed