SCHEMBL14523884

SCHEMBL14523884

B(c1ccccc1)c1ccccc1Bc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.35
▸ BBOX1 O75936 2/20 0.35
▸ EHMT2 Q96KQ7 2/20 0.35
▸ EHMT1 Q9H9B1 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 3/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30

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
SCHEMBL19630835 0.84 CA1 (0.35) TDP1BBOX1EHMT2EHMT1LMNA
SCHEMBL339826 0.82 BBOX1 (0.41) TDP1BBOX1EHMT2EHMT1CYP3A4
SCHEMBL24553843 0.81 CA2 (0.43) TDP1CYP3A4LMNAALDH1A1MEN1
Bromide SCHEMBL9081012 0.79 BBOX1 (0.39) TDP1BBOX1EHMT2EHMT1CYP3A4
Hydrochloric Acid SCHEMBL30702244 0.79 BBOX1 (0.39) TDP1BBOX1EHMT2EHMT1CYP3A4
SCHEMBL16266055 0.67 BBOX1 (0.41) TDP1BBOX1EHMT2EHMT1CYP3A4
SCHEMBL18827728 0.67 ACHE (0.53) TDP1LMNAALDH1A1MEN1KMT2A
SCHEMBL22173519 0.67 BBOX1 (0.30) BBOX1EHMT2EHMT1
SCHEMBL14599316 0.67 CA12 (0.53) TDP1CYP3A4LMNAALDH1A1MEN1
Pyridine SCHEMBL28721033 0.67 TSHR (0.50) TDP1CYP3A4LMNAALDH1A1MEN1

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-7202317-B2 Polymerization of i-butene in hydrocarbon media using bis(borane) co-initiators THE UNIVERSITY OF AKRON (US) 2007-04-10 — — US disclosed
US-7196149-B2 Polymerization of i-butane in hydrocarbon media using bis(borane) co-initiators THE UNIVERSITY OF AKRON (US) 2007-03-27 — — US disclosed
Send feedback