SCHEMBL9150133

SCHEMBL9150133

O=C(O)C(Br)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
PARL Q9H300 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL230241 0.78 PARL (0.34) ALDH1A1PKMPARLKMT2AATM
SCHEMBL379296 0.78 PARL (0.34) ALDH1A1PKMPARLKMT2AATM
SCHEMBL1140513 0.75 ALDH1A1 (0.33) ALDH1A1PKMPARLKMT2AATM
SCHEMBL28511792 0.71 SMN1; SMN2 (0.37) ALDH1A1PKMPARLKMT2AATM
SCHEMBL1275225 0.71 CYP2C19 (0.41) ALDH1A1PKMPARL
SCHEMBL18885710 0.68 MGLL (0.36)
SCHEMBL13900968 0.67 PARL (0.31) PARLKMT2AATM
SCHEMBL11989420 0.67 PARL (0.31) PARLKMT2AATM
SCHEMBL526394 0.67 ALDH1A1 (0.43) ALDH1A1PKMKMT2AATMTHRB
SCHEMBL18914913 0.67 GLA (0.33) ALDH1A1KMT2AATM

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-5391723-A Oligonucleotide conjugates NEORX CORPORATION (US) 1995-02-21 US disclosed