SCHEMBL7742767

SCHEMBL7742767

O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(-c2ccc(Cl)cc2)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.64
BCL2L1 Q07817 1/20 0.59
PTGS1 P23219 1/20 0.57
TBXAS1 P24557 1/20 0.57
MAPK1 P28482 1/20 0.57
PTGS2 P35354 1/20 0.57
MAPK14 Q16539 1/20 0.57
TMPRSS4 Q9NRS4 4/20 0.54
P2RX4 Q99571 2/20 0.54
P2RX7 Q99572 2/20 0.54
STK39 Q9UEW8 4/20 0.53
PNLIP P16233 1/20 0.53
KCNMA1 Q12791 1/20 0.50
PARG Q86W56 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL649911 0.85 PTGS1 (0.77) P2RX1BCL2L1PTGS1TBXAS1MAPK1
SCHEMBL29375129 0.85 PTGS1 (0.77) P2RX1BCL2L1PTGS1TBXAS1MAPK1
SCHEMBL2168339 0.80 PTGS1 (0.60) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL30887950 0.80 PTGS1 (0.60) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL29454776 0.78 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL2169619 0.78 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL21570088 0.78 STK39 (0.85) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL11797903 0.77 P2RX1 (0.59) P2RX1BCL2L1PTGS1TBXAS1MAPK1
SCHEMBL30887948 0.77 STK39 (0.57) BCL2L1PTGS1TBXAS1MAPK1PTGS2
SCHEMBL2167171 0.77 STK39 (0.57) BCL2L1PTGS1TBXAS1MAPK1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426093-B1 MIXTURE OF CHLOROPHENOL, 1,10-PHENANTHROLINE AND MICROBIOCIDES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-07-30 US disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 US disclosed