SCHEMBL10976136

SCHEMBL10976136

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 13/20 0.55
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.49
CTSA P10619 3/20 0.48

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
SCHEMBL951472 0.86 ALKBH5 (0.73) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL11334785 0.84 ALKBH5 (0.61) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL6143137 0.83 ALKBH5 (0.55) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL11441556 0.83 ALKBH5 (0.59) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL11043171 0.81 ALKBH5 (0.55) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL1819463 0.80 ALKBH5 (0.61) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL8942505 0.79 ALKBH5 (0.55) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL8942136 0.79 CTSA (0.57) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL11347118 0.79 ALKBH5 (0.51) ALKBH5ALDH1A1LMNAPOLBMAPT
SCHEMBL8942238 0.78 ALKBH5 (0.58) ALKBH5ALDH1A1LMNAPOLBMAPT

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
US-4555370-A CYANTATION OF ACYL. FLUORIDE BAYER AKTIENGESELLSCHAFT (DE) 1985-11-26 US disclosed