SCHEMBL7953446

SCHEMBL7953446

Cn1nc(C(F)(F)F)cc1Oc1cccc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ALDH1A1 P00352 3/20 0.40
TGFBR1 P36897 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL31019717 0.88 L3MBTL1 (0.39) KMT2AADORA2AADORA1L3MBTL1MAPT
SCHEMBL5553184 0.85 ADORA2A (0.49) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL7250243 0.82 ADORA2A (0.46) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL5553159 0.81 KMT2A (0.50) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6613269 0.81 ADORA2A (0.46) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6613296 0.81 ADORA2A (0.48) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6613579 0.80 ADORA2A (0.47) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL9098676 0.80 MAPT (0.51) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8629274 0.80 KMT2A (0.46) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8574398 0.80 ADORA2A (0.50) KMT2AADORA2AADORA1ALDH1A1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0806415-B1 Process for the preparation of arylamides of heteroaromatic carboxylic acids LONZA AG (CH) 2000-02-16 EP claimed
EP-0806415-A1 Process for the preparation of arylamides of heteroaromatic carboxylic acids LONZA AG (CH) 1997-11-12 EP claimed
JP-10059964-A None JP disclosed
US-6271372-B1 REACTING HETEROAROMATIC HALOGEN COMPOUNDS WITH CARBON MONOXIDE AND AROMATIC AMINES IN THE PRESENCE OF A COMPLEX OF PALLADIUM WITH A TRIPHENYLPHOSPHINE AND A BASE OTHER THAN AN AMINE. LONZA AG (CH) 2001-08-07 US disclosed
EP-0806415-B1 Process for the preparation of arylamides of heteroaromatic carboxylic acids LONZA AG (CH) 2000-02-16 EP disclosed
US-5900484-A FROM HETEROAROMATIC HALOGEN COMPOUNDS AND AROMATIC AMINES AND CARBON MONOXIDE WITH PALLADIUM PHOSPHINE COMPLEX LONZA AG (CH) 1999-05-04 US disclosed
US-5892032-A Process for the preparation of arylamides of heteroaromatic carboxylic acids LONZA AG (CH) 1999-04-06 US disclosed
JP-H1059964-A PRODUCTION OF ARYLAMIDE OF HETEROCYCLIC AROMATIC CARBOXYLIC ACID LONZA AG 1998-03-03 JP disclosed
EP-0806415-A1 Process for the preparation of arylamides of heteroaromatic carboxylic acids LONZA AG (CH) 1997-11-12 EP disclosed