SCHEMBL9682291

SCHEMBL9682291

O=Cc1ccccc1C=C(Br)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
TBXAS1 P24557 2/20 0.40
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.37
ERN1 O75460 1/20 0.36

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
SCHEMBL9682285 1.00 LMNA (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL8416364 0.80 AKR1C3 (0.59) LMNAKMT2AMEN1THRBBLM
SCHEMBL7525200 0.80 AKR1C3 (0.59) LMNAKMT2AMEN1THRBBLM
SCHEMBL6462299 0.78 CYP1A2 (0.50) KMT2AMEN1AKR1C3
SCHEMBL5560121 0.78 ALDH1A1 (0.47) LMNAKMT2AMEN1TDP1AKR1C3
Ortho-Phthalaldehyde SCHEMBL5968146 0.78 LMNA (0.77) LMNAKMT2AMEN1THRBBLM
SCHEMBL10620495 0.75 LMNA (0.56) LMNAKMT2AMEN1THRBBLM
Ortho-Phthalaldehyde SCHEMBL28379746 0.75 LMNA (0.93) LMNAKMT2AMEN1THRBBLM
SCHEMBL6455663 0.74 LMNA (0.60) LMNAKMT2AMEN1TDP1
SCHEMBL1804114 0.74 AKR1C3 (0.61) LMNAKMT2AMEN1TBXAS1AKR1C3

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-5162345-A Dihydropyridinedicarboxylate Derivatives GLAXO, S.P.A. (IT) 1992-11-10 US disclosed
US-5091395-A Hypotensive agents GLAXO S.P.A. (IT) 1992-02-25 US disclosed
EP-0226271-B1 1,4-DIHYDROPYRIDINE COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO S.p.A. (IT) 1990-11-22 EP disclosed