SCHEMBL11033418

SCHEMBL11033418

N#Cc1cc(Br)c(O)c(Br)c1CCCCCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.40
GPR35 Q9HC97 1/20 0.37
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IMPDH1 P20839 2/20 0.34
LTB4R Q15722 3/20 0.33
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
DTYMK P23919 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
SCHEMBL10762410 0.94 GPR35 (0.39) F13A1GPR35TSHRCYP2C9HIF1A
SCHEMBL8119704 0.76 F13A1 (0.45) F13A1MAPTRXFP1TSHRLTB4R
SCHEMBL7417680 0.75 F13A1 (0.38) F13A1MAPTRXFP1HSD17B10IMPDH1
SCHEMBL10763138 0.69 KMO (0.36) F13A1CYP2C9HIF1ATTRFFAR1
Bromoxynil SCHEMBL161975 0.69 KMT2A (0.54) MAPTTSHRHSD17B10MEN1TTR
Bromoxynil SCHEMBL5927472 0.69 KMT2A (0.54) MAPTTSHRHSD17B10MEN1TTR
SCHEMBL11215165 0.69 KMT2A (0.44) F13A1GPR35TSHRMEN1TTR
SCHEMBL9479774 0.66 TSHR (0.41) TSHRCYP2C9HIF1AHSD17B10TTR
SCHEMBL9477838 0.66 F13A1 (0.47) F13A1MAPTRXFP1LTB4RMEN1
SCHEMBL8812768 0.66 TSHR (0.67) F13A1MAPTRXFP1TSHRHSD17B10

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-4486222-A POSTEMERGENCE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-12-04 US disclosed
EP-0092632-A1 New benzonitrile derivatives, method for their preparation and herbicidal compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1983-11-02 EP disclosed