SCHEMBL11202155

SCHEMBL11202155

Clc1ccc(Br)cc1-c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.40
GABRA1 P14867 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
C1R P00736 1/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 2/20 0.34

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
SCHEMBL26401723 0.84 PTPRC (0.47) PTPRCGAAKMT2ATDP1L3MBTL1
SCHEMBL29041366 0.77 MAPT (0.54) PTPRCSMN1; SMN2MAPTGABRA1GABRA5
SCHEMBL29354513 0.77 ELANE (0.42) SMN1; SMN2MAPTKMT2ATDP1L3MBTL1
SCHEMBL30423492 0.77 MAPT (0.54) PTPRCSMN1; SMN2MAPTGABRA1GABRA5
SCHEMBL27926263 0.77 CYP2A6 (0.50) PTPRCSMN1; SMN2KMT2ATDP1C1R
SCHEMBL22884450 0.74 PTGES (0.33) PTPRCSMN1; SMN2MAPTGABRA1GABRA5
SCHEMBL3623575 0.74 CYP2A6 (0.54) PTPRCSMN1; SMN2MAPTGAAKMT2A
SCHEMBL22884455 0.73 C1R (0.35) SMN1; SMN2TDP1CYP1A2C1RCYP2A6
SCHEMBL22892614 0.73 ALDH1A1 (0.44) PTPRCSMN1; SMN2MAPTGABRA1GABRA5
SCHEMBL5155559 0.73 NPC1 (0.48) SMN1; SMN2MAPTGAAKMT2AMAPK1

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-0096384-A2 Recovering granular poly(arylene sulfide) particles from a poly (arylene sulfide) reaction mixture PHILLIPS PETROLEUM COMPANY (US) 1983-12-21 EP disclosed
EP-0073525-A1 A method in the preparation of poly(arylene sulfide) PHILLIPS PETROLEUM COMPANY (US) 1983-03-09 EP disclosed
EP-0073526-A1 A method for the preparation of poly(arylene sulfide) PHILLIPS PETROLEUM COMPANY (US) 1983-03-09 EP disclosed
EP-0039508-A1 A process for preparing alkali metal amino alkanoates and use of same PHILLIPS PETROLEUM COMPANY (US) 1981-11-11 EP disclosed