SCHEMBL6688903

SCHEMBL6688903

CC(=O)Nc1cccc(I)c1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MAOA P21397 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL27699054 0.91 CA1 (0.45) ALDH1A1HPGDMAOAPOLBCYP2C19
SCHEMBL74521 0.83 ALDH1A1 (0.61) ALDH1A1HPGDMAOAPOLBCYP2C19
SCHEMBL13043443 0.82 ALDH1A1 (0.50) ALDH1A1HPGDMAOAPOLBCYP2C19
SCHEMBL14575101 0.82 ALDH1A1 (0.55) ALDH1A1HPGDMAOAPOLBCYP2C19
SCHEMBL29531258 0.79 POLB (0.54) ALDH1A1HPGDMAOAPOLBCYP2C19
SCHEMBL14575994 0.79 ALDH1A1 (0.47) ALDH1A1HPGDMAOAPOLBCYP2C19
SCHEMBL10290977 0.78 CYP2C19 (0.47) ALDH1A1HPGDMAOAPOLBCYP2C19
SCHEMBL543956 0.77 LMNA (0.51) ALDH1A1HPGDPOLBCYP2C19KMT2A
SCHEMBL2182370 0.76 KMT2A (0.61) ALDH1A1HPGDPOLBCYP2C19KMT2A
SCHEMBL6689158 0.75 ALDH1A1 (0.74) ALDH1A1HPGDMAOAPOLBCYP2C19

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
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