SCHEMBL11039744

SCHEMBL11039744

O=C(CBr)c1cc(OC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc(OC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
PTPN1 P18031 3/20 0.53
GSK3B P49841 3/20 0.53
KMT2A Q03164 11/20 0.53
ALDH1A1 P00352 3/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NSD2 O96028 1/20 0.44

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
SCHEMBL2261141 0.91 PTPN1 (0.66) PARP10PTPN1GSK3BKMT2AALDH1A1
SCHEMBL2570730 0.84 PTPN1 (0.56) PARP10PTPN1GSK3BKMT2AALDH1A1
SCHEMBL4324217 0.83 GSK3B (0.72) PARP10PTPN1GSK3BKMT2AALDH1A1
SCHEMBL11037438 0.83 ELANE (0.53) PTPN1GSK3BKMT2AMAPTMEN1
SCHEMBL11038727 0.83 ELANE (0.53) PARP10PTPN1GSK3BKMT2AALDH1A1
SCHEMBL9663679 0.80 PARP10 (0.81) PARP10KMT2AALDH1A1PKMMAPT
SCHEMBL2755026 0.80 KMT2A (0.68) PARP10KMT2AALDH1A1PKMMAPT
SCHEMBL11039303 0.80 PARP10 (0.60) PARP10KMT2AALDH1A1PKMMAPT
SCHEMBL16675183 0.79 KMT2A (0.59) PARP10KMT2AALDH1A1PKMMAPT
SCHEMBL4333412 0.79 PTPN1 (0.71) PARP10PTPN1GSK3BKMT2AALDH1A1

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
EP-0046144-B1 THERAPEUTICALLY ACTIVE DERIVATIVES OF PHENYLETHANOL AMINES Aktiebolaget Draco (SE) 1984-04-11 EP disclosed
US-4442300-A BRONCHOSPASMOLYTIC AKTIEBOLAGET DRACO (SE) 1984-04-10 US disclosed
EP-0046144-A1 Therapeutically active derivatives of phenylethanol amines Aktiebolaget Draco (SE) 1982-02-17 EP disclosed