SCHEMBL9723314

SCHEMBL9723314

Br[PH](Br)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 5/20 0.39
TSHR P16473 5/20 0.33
BBOX1 O75936 2/20 0.33
EHMT2 Q96KQ7 2/20 0.33
EHMT1 Q9H9B1 2/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
GLA P06280 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL11771096 0.79 ALDH1A1 (0.39) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL304911 0.79 ALDH1A1 (0.39) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL10277371 0.76 ALDH1A1 (0.37) ALDH1A1TDP1TSHRBBOX1EHMT2
Bromide SCHEMBL9723310 0.76 ALDH1A1 (0.37) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL15466997 0.76 ALDH1A1 (0.37) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL28738751 0.76 ALDH1A1 (0.37) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL28993879 0.76 ALDH1A1 (0.37) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL17881683 0.73 TSHR (0.35) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL1402206 0.71 MAPT (0.37) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL17624641 0.71 ALDH1A1 (0.41) ALDH1A1TDP1TSHRTRPA1CALM1

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
EP-0520095-A1 Flame retardant resin composition DSM N.V. (NL) 1992-12-30 EP disclosed