SCHEMBL9717508

SCHEMBL9717508

Brc1ccccc1P(c1ccccc1Br)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD11B1 P28845 2/20 0.32
IDO1 P14902 2/20 0.32
PLCG1 P19174 1/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MGLL Q99685 1/20 0.31

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
Hydrochloric Acid SCHEMBL10923184 0.94 ALDH1A1 (0.38) ALDH1A1MAPK1TDP1CA1CA2
SCHEMBL11641106 0.89 ALDH1A1 (0.35) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL14603771 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1TDP1CA1CA2
SCHEMBL29482776 0.84 TDP1 (0.52) ALDH1A1MAPK1TDP1CA1CA2
SCHEMBL22831360 0.84 TDP1 (0.52) ALDH1A1MAPK1TDP1CA1CA2
SCHEMBL1683369 0.84 TDP1 (0.52) ALDH1A1MAPK1TDP1CA1CA2
SCHEMBL14604091 0.83 ALDH1A1 (0.52) ALDH1A1TDP1CA1CA2CYP3A4
SCHEMBL14603870 0.82 TDP1 (0.50) ALDH1A1MAPK1TDP1GAACYP3A4
SCHEMBL6230319 0.82 ALDH1A1 (0.39) ALDH1A1TDP1CA1CA2CA4
SCHEMBL9717527 0.77 ALDH1A1 (0.38) ALDH1A1MAPK1TDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340985-B1 PROCESS FOR PREPARING TRANS-2,2-DIMETHYL-3-(2,2-DIHALOVINYL)-CYCLOPROPANE CARBOXYLIC ACID HALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
US-4954651-A Process for preparing trans-2,2-dimethyl-3-(2,2-dihalovinyl)-cyclopropane carboxylic acid halide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-04 US disclosed
EP-0340985-A1 Process for preparing trans-2,2-dimethyl-3-(2,2-dihalovinyl)-cyclopropane carboxylic acid halide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-08 EP disclosed
EP-0096905-B1 PROCESS FOR THE PREPARATION OF GLYCOL ALDEHYDE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-04-23 EP disclosed