SCHEMBL7355993

SCHEMBL7355993

Cc1oc(C(C)(C)C)cc1C(Br)C=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PKM P14618 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 3/20 0.32
CYP26A1 O43174 3/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6613744 0.78 ALOX5 (0.41) KMT2AMEN1MAPT
SCHEMBL8224149 0.74 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL3102495 0.68 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL1252433 0.66 MEN1 (0.38) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL22346875 0.63 CYP3A4 (0.33) TSHR
SCHEMBL21495062 0.63 POLB (0.39) TP53TSHRALDH1A1
SCHEMBL820796 0.62 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL13295080 0.62 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL7406299 0.62 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL573429 0.62 L3MBTL1 (0.68) L3MBTL1KMT2AMEN1PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 WO disclosed