SCHEMBL8645858

SCHEMBL8645858

COC(=O)C1(C(=O)OC)Cc2cc(Br)ccc2N1C(=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
GPR183 P32249 2/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
ORAI1 Q96D31 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL8647266 0.86 KMT2A (0.37) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL8646109 0.83 GAA (0.42) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL8645634 0.82 BRD4 (0.40) ALDH1A1KDM4ELMNAMAPT
SCHEMBL8645638 0.81 BRD4 (0.40) ALDH1A1LMNAMAPT
SCHEMBL8645682 0.81 HSD17B3 (0.39) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL8646116 0.80 GAA (0.42) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL8645683 0.79 HSD17B3 (0.37) ALDH1A1KDM4EHPGDKMT2ANPC1
SCHEMBL8644832 0.76 TUBB4A (0.37) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL8644828 0.76 TUBB4A (0.38) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL8647255 0.75 TUBB4A (0.35) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843972-A Heterocyclic β-adrenergic agonists PFIZER INC. (US) 1998-12-01 US disclosed
EP-0801060-A1 Heterocyclic Beta-3 Adrenergenic Agonists PFIZER INC. (US) 1997-10-15 EP disclosed