SCHEMBL6692448

SCHEMBL6692448

CCOC(=O)c1cccc(Br)c1NC(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 4/20 0.46
F2R P25116 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPK10 P53779 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDC25B P30305 2/20 0.42
LMNA P02545 2/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL22405833 0.87 TSHR (0.51) TSHRHSD17B10KDM4EALDH1A1MAPK10
SCHEMBL6692441 0.86 KDM4E (0.56) TSHRHSD17B10KDM4EALDH1A1MAPK10
SCHEMBL27603222 0.86 TSHR (0.53) TSHRHSD17B10KDM4EF2RALDH1A1
SCHEMBL6692069 0.79 KMT2A (0.42) TSHRKDM4EF2RALDH1A1CYP2C19
SCHEMBL6410314 0.78 KDM4E (0.72) TSHRHSD17B10KDM4EALDH1A1MAPK10
SCHEMBL10750818 0.78 ALDH1A1 (0.42) TSHRF2RALDH1A1CYP1A2CYP2C19
SCHEMBL265052 0.76 TSHR (0.63) TSHRHSD17B10KDM4EF2RALDH1A1
SCHEMBL22426563 0.75 TSHR (0.54) TSHRHSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL22405861 0.75 MAPT (0.48) ALDH1A1CYP1A2CYP2C19MAPK1LMNA
SCHEMBL408906 0.75 TSHR (0.74) TSHRHSD17B10KDM4EF2RALDH1A1

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-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed