SCHEMBL7964413

SCHEMBL7964413

Cn1nc(C(F)(F)F)cc1Oc1cccc(C(=O)Nc2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
NPY5R Q15761 1/20 0.46
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IRAK4 Q9NWZ3 4/20 0.42
ROCK1 Q13464 1/20 0.42
POLB P06746 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
IRAK1 P51617 1/20 0.41
CBLB Q13191 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 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
SCHEMBL8687760 0.87 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPY5RRAB9AALDH1A1
SCHEMBL8721044 0.87 ALDH1A1 (0.46) MAPTSMN1; SMN2NPY5RRAB9AALDH1A1
SCHEMBL8725049 0.87 MAPT (0.53) MAPTSMN1; SMN2NPY5RRAB9AALDH1A1
SCHEMBL8574398 0.82 ADORA2A (0.50) MAPTALDH1A1ADORA2AADORA1KDM4E
SCHEMBL7963938 0.82 ALDH1A1 (0.42) MAPTALDH1A1CYP3A4HSD17B10IRAK4
SCHEMBL8725772 0.81 CD38 (0.47) SMN1; SMN2ALDH1A1CYP3A4HSD17B10CBLB
SCHEMBL8725888 0.80 CBLB (0.45) RAB9AALDH1A1CYP3A4HSD17B10ROCK1
SCHEMBL8725981 0.78 XPO1 (0.40) ALDH1A1CYP3A4HSD17B10POLBCBLB
SCHEMBL8721733 0.78 BUB1 (0.43) SMN1; SMN2RAB9AALDH1A1CYP3A4HSD17B10
SCHEMBL54805 0.76 MAPT (0.65) MAPTNPY5RRAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5707933-A PLANT GROWTH REGULATORS AND ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-01-13 US disclosed
US-5707932-A PLANT GROWTH REGULATORS; PRE- AND POSTEMERGENCE AMERICAN CYANAMID COMPANY (US) 1998-01-13 US disclosed
EP-0806415-A1 Process for the preparation of arylamides of heteroaromatic carboxylic acids LONZA AG (CH) 1997-11-12 EP disclosed
EP-0665841-B1 HERBICIDAL PYRAZOLYLOXY-PICOLINAMIDES SHELL INT RESEARCH (NL) 1996-07-17 EP disclosed
EP-0665841-A1 HERBICIDAL PYRAZOLYLOXY-PICOLINAMIDES. SHELL INT RESEARCH (NL) 1995-08-09 EP disclosed
WO-1994008991-A1 HERBICIDAL PYRAZOLYLOXY-PICOLINAMIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-04-28 WO disclosed