SCHEMBL10344330

SCHEMBL10344330

Clc1cccc(OC(Cl)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.50
SLC6A4 P31645 5/20 0.45
GRM5 P41594 1/20 0.43
WDR5 P61964 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10451483 0.83 OGG1 (0.56) OGG1SLC6A4GRM5WDR5KMT2A
SCHEMBL31634192 0.80 NPSR1 (0.51) OGG1SLC6A4GRM5WDR5KMT2A
SCHEMBL6299188 0.80 NPSR1 (0.51) OGG1SLC6A4GRM5WDR5KMT2A
SCHEMBL105734 0.80 OGG1 (0.57) OGG1SLC6A4GRM5KMT2AL3MBTL1
Chloromethane SCHEMBL27541396 0.78 OGG1 (0.56) OGG1SLC6A4GRM5KMT2AL3MBTL1
SCHEMBL27550855 0.78 OGG1 (0.51) OGG1SLC6A4WDR5KMT2AL3MBTL1
SCHEMBL17032600 0.77 OGG1 (0.54) OGG1SLC6A4GRM5WDR5KMT2A
SCHEMBL8059974 0.77 OGG1 (0.58) OGG1SLC6A4GRM5WDR5KMT2A
SCHEMBL10359842 0.77 OGG1 (0.58) OGG1SLC6A4GRM5WDR5KMT2A
Hydrazine SCHEMBL28120133 0.77 OGG1 (0.58) OGG1SLC6A4GRM5WDR5KMT2A

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-0191044-B1 DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1990-02-07 EP disclosed
US-4732998-A Bisphosphonic acids and esters LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 1988-03-22 US disclosed
EP-0191044-A1 DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1986-08-20 EP disclosed
WO-1986000902-A1 DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1986-02-13 WO disclosed